1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea

C10H15N3O4S2 — CID 136542648

IUPAC1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H15N3O4S2/c1-17-8-6-11-10(18-8)13-9(14)12-7-2-4-19(15,16)5-3-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyCOPZEGJJGLJTMG-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.85
Rot. Bonds3

About 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea

1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea (PubChem CID 136542648) has the molecular formula C10H15N3O4S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
PubChem CID136542648
Molecular FormulaC10H15N3O4S2
Molecular Weight305.38 g/mol
Exact Mass305.05
IUPAC Name1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea
SMILESCOc1cnc(NC(=O)NC2CCS(=O)(=O)CC2)s1
InChIInChI=1S/C10H15N3O4S2/c1-17-8-6-11-10(18-8)13-9(14)12-7-2-4-19(15,16)5-3-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14)
InChIKeyCOPZEGJJGLJTMG-UHFFFAOYSA-N
XLogP0.85
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea 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

1-cycloheptyl-3-(5-methoxy-1,3-thiazol-2-yl)urea
CID 154834706
4-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122092807
2-[cyclopropylmethyl-[3-[(5-methoxy-1,3-thiazol-2-yl)carbamoylamino]cyclobutyl]amino]acetic acid
CID 122092810
1-cyclobutyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 115617610
1-cyclohexyl-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 16729615
1-(5-methoxy-1,3-thiazol-2-yl)-3-[(4-methylsulfonylcyclohexyl)methyl]urea
CID 138054346
1-[(3S)-1,1-dioxothiolan-3-yl]-3-(6-methoxy-3-pyridinyl)urea
CID 94173421
2-chloro-N-(5-methoxy-1,3-thiazol-2-yl)acetamide
CID 166431986
1-cyclopropyl-3-(1,1-dioxothian-4-yl)urea
CID 115673028
1-(6-cyclopentyloxy-3-pyridinyl)-3-(1,1-dioxothian-4-yl)urea
CID 136534294
1-(3,4-dimethoxyphenyl)-3-[(3S)-1,1-dioxothiolan-3-yl]urea
CID 52592483
1-cyclopentyl-3-(4-methoxy-7-methyl-1,3-benzothiazol-2-yl)urea
CID 56592932

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea (CID 136542648) is 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea is COc1cnc(NC(=O)NC2CCS(=O)(=O)CC2)s1.
What is the InChIKey of 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
The InChIKey is COPZEGJJGLJTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4S2/c1-17-8-6-11-10(18-8)13-9(14)12-7-2-4-19(15,16)5-3-7/h6-7H,2-5H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea?
1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea has a molecular weight of 305.38 g/mol, XLogP of 0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dioxothian-4-yl)-3-(5-methoxy-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 136542648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).