carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide

C18H20N2O6S3 — CID 121281743

IUPACcarbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
SMILESCc1csc(-c2c(NC(=O)C3=CCCC3)sc3c2CCS(=O)(=O)C3)n1.O=C(O)O
InChIInChI=1S/C17H18N2O3S3.CH2O3/c1-10-8-23-16(18-10)14-12-6-7-25(21,22)9-13(12)24-17(14)19-15(20)11-4-2-3-5-11;2-1(3)4/h4,8H,2-3,5-7,9H2,1H3,(H,19,20);(H2,2,3,4)
InChIKeyGXCQIJPEACLSLX-UHFFFAOYSA-N
MW456.57 g/mol
LogP3.92
Rot. Bonds3

About carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide

carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide (PubChem CID 121281743) has the molecular formula C18H20N2O6S3 and a molecular weight of 456.57 g/mol. Its IUPAC name is carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Namecarbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
PubChem CID121281743
Molecular FormulaC18H20N2O6S3
Molecular Weight456.57 g/mol
Exact Mass456.05
IUPAC Namecarbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide
SMILESCc1csc(-c2c(NC(=O)C3=CCCC3)sc3c2CCS(=O)(=O)C3)n1.O=C(O)O
InChIInChI=1S/C17H18N2O3S3.CH2O3/c1-10-8-23-16(18-10)14-12-6-7-25(21,22)9-13(12)24-17(14)19-15(20)11-4-2-3-5-11;2-1(3)4/h4,8H,2-3,5-7,9H2,1H3,(H,19,20);(H2,2,3,4)
InChIKeyGXCQIJPEACLSLX-UHFFFAOYSA-N
XLogP3.92
TPSA133.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
The IUPAC name of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide (CID 121281743) is carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
The canonical SMILES for carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide is Cc1csc(-c2c(NC(=O)C3=CCCC3)sc3c2CCS(=O)(=O)C3)n1.O=C(O)O.
What is the InChIKey of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
The InChIKey is GXCQIJPEACLSLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O3S3.CH2O3/c1-10-8-23-16(18-10)14-12-6-7-25(21,22)9-13(12)24-17(14)19-15(20)11-4-2-3-5-11;2-1(3)4/h4,8H,2-3,5-7,9H2,1H3,(H,19,20);(H2,2,3,4).
What are the key properties of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide?
carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 3.92, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-6,6-dioxo-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 121281743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).