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

C18H20N2O5S2 — CID 121281483

IUPACcarbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
SMILESCc1csc(-c2c(NC(=O)C3=CCCC3)sc3c2CCOC3)n1.O=C(O)O
InChIInChI=1S/C17H18N2O2S2.CH2O3/c1-10-9-22-16(18-10)14-12-6-7-21-8-13(12)23-17(14)19-15(20)11-4-2-3-5-11;2-1(3)4/h4,9H,2-3,5-8H2,1H3,(H,19,20);(H2,2,3,4)
InChIKeyUPFFJUVMBSAYJN-UHFFFAOYSA-N
MW408.50 g/mol
LogP4.52
Rot. Bonds3

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

carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide (PubChem CID 121281483) has the molecular formula C18H20N2O5S2 and a molecular weight of 408.50 g/mol. Its IUPAC name is carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide.

Molecular Properties

Compound Namecarbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
PubChem CID121281483
Molecular FormulaC18H20N2O5S2
Molecular Weight408.50 g/mol
Exact Mass408.08
IUPAC Namecarbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide
SMILESCc1csc(-c2c(NC(=O)C3=CCCC3)sc3c2CCOC3)n1.O=C(O)O
InChIInChI=1S/C17H18N2O2S2.CH2O3/c1-10-9-22-16(18-10)14-12-6-7-21-8-13(12)23-17(14)19-15(20)11-4-2-3-5-11;2-1(3)4/h4,9H,2-3,5-8H2,1H3,(H,19,20);(H2,2,3,4)
InChIKeyUPFFJUVMBSAYJN-UHFFFAOYSA-N
XLogP4.52
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide?
The IUPAC name of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide (CID 121281483) is carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide.
What is the SMILES notation for carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide?
The canonical SMILES for carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide is Cc1csc(-c2c(NC(=O)C3=CCCC3)sc3c2CCOC3)n1.O=C(O)O.
What is the InChIKey of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide?
The InChIKey is UPFFJUVMBSAYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2S2.CH2O3/c1-10-9-22-16(18-10)14-12-6-7-21-8-13(12)23-17(14)19-15(20)11-4-2-3-5-11;2-1(3)4/h4,9H,2-3,5-8H2,1H3,(H,19,20);(H2,2,3,4).
What are the key properties of carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide?
carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide has a molecular weight of 408.50 g/mol, XLogP of 4.52, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;N-[3-(4-methyl-1,3-thiazol-2-yl)-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl]cyclopentene-1-carboxamide is sourced from PubChem (CID 121281483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).