N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide

C11H16N2O3S — CID 103712065

IUPACN-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC2(O)CCOCC2)s1
InChIInChI=1S/C11H16N2O3S/c1-8-12-6-9(17-8)10(14)13-7-11(15)2-4-16-5-3-11/h6,15H,2-5,7H2,1H3,(H,13,14)
InChIKeyYCYJNAODFVWMGE-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.72
Rot. Bonds3

About N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide

N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 103712065) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID103712065
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC NameN-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
SMILESCc1ncc(C(=O)NCC2(O)CCOCC2)s1
InChIInChI=1S/C11H16N2O3S/c1-8-12-6-9(17-8)10(14)13-7-11(15)2-4-16-5-3-11/h6,15H,2-5,7H2,1H3,(H,13,14)
InChIKeyYCYJNAODFVWMGE-UHFFFAOYSA-N
XLogP0.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
N-[4-(bromomethyl)oxan-4-yl]-2-methyl-1,3-thiazole-5-carboxamide
CID 106300856
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
N-[(4-hydroxyoxan-4-yl)methyl]pyrazine-2-carboxamide
CID 79039942
2-ethyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 111485009
N-[(4-hydroxyoxan-4-yl)methyl]-4-methoxythiophene-2-carboxamide
CID 79465870
N-[(4-hydroxyoxan-4-yl)methyl]-5-nitrothiophene-2-carboxamide
CID 79040020
(E)-N-[(4-hydroxyoxan-4-yl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)prop-2-enamide
CID 79039607
5-bromo-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-2-carboxamide
CID 79039270
2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 122158795
2,5-dichloro-N-[(4-hydroxyoxan-4-yl)methyl]thiophene-3-carboxamide
CID 103712060

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide (CID 103712065) is N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide is Cc1ncc(C(=O)NCC2(O)CCOCC2)s1.
What is the InChIKey of N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is YCYJNAODFVWMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-8-12-6-9(17-8)10(14)13-7-11(15)2-4-16-5-3-11/h6,15H,2-5,7H2,1H3,(H,13,14).
What are the key properties of N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide?
N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 256.33 g/mol, XLogP of 0.72, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103712065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).