N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide

C12H13N3O2S — CID 154763227

IUPACN-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(CCO)ccn2)ns1
InChIInChI=1S/C12H13N3O2S/c1-8-6-10(15-18-8)12(17)14-11-7-9(3-5-16)2-4-13-11/h2,4,6-7,16H,3,5H2,1H3,(H,13,14,17)
InChIKeyLMDGNANRDPKHFJ-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.63
Rot. Bonds4

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

N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide (PubChem CID 154763227) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide
PubChem CID154763227
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC NameN-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2cc(CCO)ccn2)ns1
InChIInChI=1S/C12H13N3O2S/c1-8-6-10(15-18-8)12(17)14-11-7-9(3-5-16)2-4-13-11/h2,4,6-7,16H,3,5H2,1H3,(H,13,14,17)
InChIKeyLMDGNANRDPKHFJ-UHFFFAOYSA-N
XLogP1.63
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,6-dimethylphenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576927
tert-butyl N-[4-(2-hydroxyethyl)-2-pyridinyl]carbamate;ethane
CID 142453798
N-[4-(2-hydroxyethyl)-2-pyridinyl]-2-oxo-1H-quinoline-4-carboxamide
CID 167879450
methyl 4-(2-hydroxyethyl)pyridine-2-carboxylate
CID 15719002
4-chloro-N-[4-(hydroxymethyl)-2-pyridinyl]benzamide
CID 82343541
N-(3,3-dichloroprop-2-enyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 126834628
2-N,6-N-bis(4-methyl-2-pyridinyl)pyridine-2,6-dicarboxamide
CID 4130002
4-butyl-N-pyridin-2-ylpyridine-2-carboxamide;hydrochloride
CID 172619074
3-cyano-N-[4-(2-hydroxyethyl)-2-pyridinyl]naphthalene-1-carboxamide
CID 167809546
N-(3-bromophenyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 84576868
ethyl (2S)-2-[(5-methyl-1,2-thiazole-3-carbonyl)amino]-3-pyridin-4-ylpropanoate
CID 164643246
[4-(aminomethyl)-2-pyridinyl]carbamic acid
CID 154255839

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide (CID 154763227) is N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide is Cc1cc(C(=O)Nc2cc(CCO)ccn2)ns1.
What is the InChIKey of N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide?
The InChIKey is LMDGNANRDPKHFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8-6-10(15-18-8)12(17)14-11-7-9(3-5-16)2-4-13-11/h2,4,6-7,16H,3,5H2,1H3,(H,13,14,17).
What are the key properties of N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide?
N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide has a molecular weight of 263.32 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-hydroxyethyl)-2-pyridinyl]-5-methyl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 154763227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).