2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide

C16H22N4OS — CID 120646793

IUPAC2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1C(NC(=O)c1csc(CCN)n1)C(C)C
InChIInChI=1S/C16H22N4OS/c1-10(2)14(15-11(3)5-4-8-18-15)20-16(21)12-9-22-13(19-12)6-7-17/h4-5,8-10,14H,6-7,17H2,1-3H3,(H,20,21)
InChIKeyDQXUFFPZEHDSSJ-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.47
Rot. Bonds6

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

2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 120646793) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID120646793
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide
SMILESCc1cccnc1C(NC(=O)c1csc(CCN)n1)C(C)C
InChIInChI=1S/C16H22N4OS/c1-10(2)14(15-11(3)5-4-8-18-15)20-16(21)12-9-22-13(19-12)6-7-17/h4-5,8-10,14H,6-7,17H2,1-3H3,(H,20,21)
InChIKeyDQXUFFPZEHDSSJ-UHFFFAOYSA-N
XLogP2.47
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[1-(2,4-difluorophenyl)-2-methylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-(2-methylpentan-3-yl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(1-ethylsulfonylpropan-2-yl)-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide;hydrochloride
CID 120615972
methyl (2R)-2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]propanoate;hydrochloride
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N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-4-(4-methyl-1,3-thiazol-2-yl)benzamide
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2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232
2-(2-aminoethyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1,3-thiazole-4-carboxamide
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2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-hydroxybutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide (CID 120646793) is 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide is Cc1cccnc1C(NC(=O)c1csc(CCN)n1)C(C)C.
What is the InChIKey of 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is DQXUFFPZEHDSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10(2)14(15-11(3)5-4-8-18-15)20-16(21)12-9-22-13(19-12)6-7-17/h4-5,8-10,14H,6-7,17H2,1-3H3,(H,20,21).
What are the key properties of 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-[2-methyl-1-(3-methyl-2-pyridinyl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120646793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).