4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

C16H15N5O2S2 — CID 72719953

IUPAC4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C16H15N5O2S2/c1-9-11(25-16(18-9)21-7-2-3-8-21)14(23)20-15-19-10-5-4-6-17-13(22)12(10)24-15/h2-3,7-8H,4-6H2,1H3,(H,17,22)(H,19,20,23)
InChIKeyUTYSFSZKYMHTCD-UHFFFAOYSA-N
MW373.46 g/mol
LogP2.63
Rot. Bonds3

About 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide

4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (PubChem CID 72719953) has the molecular formula C16H15N5O2S2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
PubChem CID72719953
Molecular FormulaC16H15N5O2S2
Molecular Weight373.46 g/mol
Exact Mass373.07
IUPAC Name4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-n2cccc2)sc1C(=O)Nc1nc2c(s1)C(=O)NCCC2
InChIInChI=1S/C16H15N5O2S2/c1-9-11(25-16(18-9)21-7-2-3-8-21)14(23)20-15-19-10-5-4-6-17-13(22)12(10)24-15/h2-3,7-8H,4-6H2,1H3,(H,17,22)(H,19,20,23)
InChIKeyUTYSFSZKYMHTCD-UHFFFAOYSA-N
XLogP2.63
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide (CID 72719953) is 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is Cc1nc(-n2cccc2)sc1C(=O)Nc1nc2c(s1)C(=O)NCCC2.
What is the InChIKey of 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
The InChIKey is UTYSFSZKYMHTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2S2/c1-9-11(25-16(18-9)21-7-2-3-8-21)14(23)20-15-19-10-5-4-6-17-13(22)12(10)24-15/h2-3,7-8H,4-6H2,1H3,(H,17,22)(H,19,20,23).
What are the key properties of 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 2.63, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrrol-1-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 72719953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).