N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C14H16N2O4S3 — CID 99812897

IUPACN-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCOCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O4S3/c17-13(11-8-22-14(15-11)12-2-1-7-21-12)16-23(18,19)9-10-3-5-20-6-4-10/h1-2,7-8,10H,3-6,9H2,(H,16,17)
InChIKeyXTASDXNWKLAMKE-UHFFFAOYSA-N
MW372.49 g/mol
LogP2.36
Rot. Bonds5

About N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 99812897) has the molecular formula C14H16N2O4S3 and a molecular weight of 372.49 g/mol. Its IUPAC name is N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID99812897
Molecular FormulaC14H16N2O4S3
Molecular Weight372.49 g/mol
Exact Mass372.03
IUPAC NameN-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NS(=O)(=O)CC1CCOCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O4S3/c17-13(11-8-22-14(15-11)12-2-1-7-21-12)16-23(18,19)9-10-3-5-20-6-4-10/h1-2,7-8,10H,3-6,9H2,(H,16,17)
InChIKeyXTASDXNWKLAMKE-UHFFFAOYSA-N
XLogP2.36
TPSA85.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 103954321
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758
N-[4-(cyclopropanecarbonylamino)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 41266351
N-(1,3-thiazol-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 9043733
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
N-[2-(aminomethyl)cyclohexyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119612343
N-(1-amino-2-cyclopropylpropan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119575796
N-(2-methylbutan-2-yl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 46554707
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-(3,3-dimethylcyclopentyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 114550416

Frequently Asked Questions

What is the IUPAC name of N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 99812897) is N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NS(=O)(=O)CC1CCOCC1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is XTASDXNWKLAMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4S3/c17-13(11-8-22-14(15-11)12-2-1-7-21-12)16-23(18,19)9-10-3-5-20-6-4-10/h1-2,7-8,10H,3-6,9H2,(H,16,17).
What are the key properties of N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 372.49 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99812897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).