N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C14H16N2O3S2 — CID 103954321

IUPACN-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O3S2/c17-9-14(3-5-19-6-4-14)16-12(18)10-8-21-13(15-10)11-2-1-7-20-11/h1-2,7-8,17H,3-6,9H2,(H,16,18)
InChIKeyRLGIFLKPKOICPI-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.14
Rot. Bonds4

About N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 103954321) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID103954321
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC NameN-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(CO)CCOCC1)c1csc(-c2cccs2)n1
InChIInChI=1S/C14H16N2O3S2/c17-9-14(3-5-19-6-4-14)16-12(18)10-8-21-13(15-10)11-2-1-7-20-11/h1-2,7-8,17H,3-6,9H2,(H,16,18)
InChIKeyRLGIFLKPKOICPI-UHFFFAOYSA-N
XLogP2.14
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158334
N-[1-(hydroxymethyl)cyclopropyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 115764961
N-(2-amino-2-methylpropyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119630453
N-[(3-methyloxetan-3-yl)methyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 78956758
N-(oxan-4-ylmethylsulfonyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 99812897
(2S)-3-hydroxy-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]propanoic acid
CID 61151765
N-[4-(hydroxymethyl)oxan-4-yl]-1,2-oxazole-3-carboxamide
CID 103954215
N-[4-(morpholin-4-ylmethyl)phenyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 86911319
N-(2-benzamidoethyl)-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 55536744
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
N-[4-(hydroxymethyl)oxan-4-yl]pyridine-4-carboxamide
CID 113358039
(2S)-2-[(2-thiophen-2-yl-1,3-thiazole-4-carbonyl)amino]butanedioic acid
CID 112733132

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 103954321) is N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is O=C(NC1(CO)CCOCC1)c1csc(-c2cccs2)n1.
What is the InChIKey of N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RLGIFLKPKOICPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c17-9-14(3-5-19-6-4-14)16-12(18)10-8-21-13(15-10)11-2-1-7-20-11/h1-2,7-8,17H,3-6,9H2,(H,16,18).
What are the key properties of N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)oxan-4-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103954321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).