10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

C17H17N3OS3 — CID 983899

IUPAC10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESC=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C17H17N3OS3/c1-3-7-20-16(21)14-12-5-4-6-13(12)24-15(14)19-17(20)23-9-11-8-22-10(2)18-11/h3,8H,1,4-7,9H2,2H3
InChIKeyUCZUVFHREDZWCM-UHFFFAOYSA-N
MW375.54 g/mol
LogP4.19
Rot. Bonds5

About 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one

10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (PubChem CID 983899) has the molecular formula C17H17N3OS3 and a molecular weight of 375.54 g/mol. Its IUPAC name is 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.

Molecular Properties

Compound Name10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
PubChem CID983899
Molecular FormulaC17H17N3OS3
Molecular Weight375.54 g/mol
Exact Mass375.05
IUPAC Name10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
SMILESC=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC3
InChIInChI=1S/C17H17N3OS3/c1-3-7-20-16(21)14-12-5-4-6-13(12)24-15(14)19-17(20)23-9-11-8-22-10(2)18-11/h3,8H,1,4-7,9H2,2H3
InChIKeyUCZUVFHREDZWCM-UHFFFAOYSA-N
XLogP4.19
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-allyl-2-(((2-methylthiazol-4-yl)methyl)thio)-6,7,8,9-tetrahydro-3H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one
CID 983914
2-[(2-Methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 983916
2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2084568
7-Methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 3846110
2-[1-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 4881247
Ethyl 2-[2-[(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)methylsulfanyl]-1,3-thiazol-4-yl]acetate
CID 2571080
10-[(4-Methyl-1,3-thiazol-2-yl)sulfanylmethyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
CID 2532727
N-[1-(1,3-benzothiazol-2-yl)ethyl]-N-methyl-2-[(12-oxo-11-propyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)sulfanyl]acetamide
CID 24249317
5,6-dimethyl-2-(((2-methylthiazol-4-yl)methyl)thio)-3-phenylthieno[2,3-d]pyrimidin-4(3H)-one
CID 984009
5-(4-fluorophenyl)-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 1278672
5-(4-fluorophenyl)-2-{[(2-methyl-1,3-thiazol-4-yl)methyl]sulfanyl}-3-phenyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 2190900
(S)-3-allyl-7-methyl-2-[(2-methyl-1,3-thiazol-4-yl)methylthio]-9-thia-1,3-diaza-5,6,7,8-tetrahydro-4(3H)-fluorenone
CID 983908

Frequently Asked Questions

What is the IUPAC name of 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The IUPAC name of 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one (CID 983899) is 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
What is the SMILES notation for 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The canonical SMILES for 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is C=CCn1c(SCc2csc(C)n2)nc2sc3c(c2c1=O)CCC3.
What is the InChIKey of 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
The InChIKey is UCZUVFHREDZWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3OS3/c1-3-7-20-16(21)14-12-5-4-6-13(12)24-15(14)19-17(20)23-9-11-8-22-10(2)18-11/h3,8H,1,4-7,9H2,2H3.
What are the key properties of 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one?
10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one has a molecular weight of 375.54 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-[(2-methyl-1,3-thiazol-4-yl)methylsulfanyl]-11-prop-2-enyl-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one is sourced from PubChem (CID 983899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).