N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide

C15H23N3OS2 — CID 119937540

IUPACN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1nc2c(s1)CCCCCC2
InChIInChI=1S/C15H23N3OS2/c19-14(9-11-10-20-8-7-16-11)18-15-17-12-5-3-1-2-4-6-13(12)21-15/h11,16H,1-10H2,(H,17,18,19)
InChIKeyKNKXGMONLPBYKW-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.84
Rot. Bonds3

About N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide (PubChem CID 119937540) has the molecular formula C15H23N3OS2 and a molecular weight of 325.50 g/mol. Its IUPAC name is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
PubChem CID119937540
Molecular FormulaC15H23N3OS2
Molecular Weight325.50 g/mol
Exact Mass325.13
IUPAC NameN-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide
SMILESO=C(CC1CSCCN1)Nc1nc2c(s1)CCCCCC2
InChIInChI=1S/C15H23N3OS2/c19-14(9-11-10-20-8-7-16-11)18-15-17-12-5-3-1-2-4-6-13(12)21-15/h11,16H,1-10H2,(H,17,18,19)
InChIKeyKNKXGMONLPBYKW-UHFFFAOYSA-N
XLogP2.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-pyrrolidin-2-ylacetamide
CID 119743833
3-piperidin-2-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 62210273
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 119300541
2-thiomorpholin-3-yl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 119936088
N-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,3]thiazol-2-yl)pyrrolidine-2-carboxamide
CID 102554241
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,3-thiazolidine-4-carboxamide
CID 54968780
N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)-1,4-dithiane-2-carboxamide
CID 112760935
N-(5-acetyl-1,3-thiazol-2-yl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119939508
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-methoxyacetamide
CID 47379488
3-cyclohexyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 3626009
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 79610790
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785

Frequently Asked Questions

What is the IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide (CID 119937540) is N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide is O=C(CC1CSCCN1)Nc1nc2c(s1)CCCCCC2.
What is the InChIKey of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
The InChIKey is KNKXGMONLPBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3OS2/c19-14(9-11-10-20-8-7-16-11)18-15-17-12-5-3-1-2-4-6-13(12)21-15/h11,16H,1-10H2,(H,17,18,19).
What are the key properties of N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide?
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide has a molecular weight of 325.50 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119937540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).