2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

C12H14N4OS — CID 66374004

IUPAC2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C(C)N)n2)nc1
InChIInChI=1S/C12H14N4OS/c1-7-3-4-10(14-5-7)16-11(17)9-6-18-12(15-9)8(2)13/h3-6,8H,13H2,1-2H3,(H,14,16,17)
InChIKeyQUKCYOWTYWEGRM-UHFFFAOYSA-N
MW262.34 g/mol
LogP2.12
Rot. Bonds3

About 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (PubChem CID 66374004) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
PubChem CID66374004
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2csc(C(C)N)n2)nc1
InChIInChI=1S/C12H14N4OS/c1-7-3-4-10(14-5-7)16-11(17)9-6-18-12(15-9)8(2)13/h3-6,8H,13H2,1-2H3,(H,14,16,17)
InChIKeyQUKCYOWTYWEGRM-UHFFFAOYSA-N
XLogP2.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-(5-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66374394
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389777
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-[(5-methyl-2-pyridinyl)carbamoyl]-1,3-thiazole-4-carboxylic acid
CID 116696469
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-(5-chloro-2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66373820
2-(1-aminoethyl)-N-(3-bromo-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 66388427
2-[(4-methoxybenzoyl)amino]-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 84550493

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide (CID 66374004) is 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is Cc1ccc(NC(=O)c2csc(C(C)N)n2)nc1.
What is the InChIKey of 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
The InChIKey is QUKCYOWTYWEGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-7-3-4-10(14-5-7)16-11(17)9-6-18-12(15-9)8(2)13/h3-6,8H,13H2,1-2H3,(H,14,16,17).
What are the key properties of 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(5-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66374004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).