2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide

C16H22N4OS — CID 120646629

IUPAC2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)c2csc(CCN)n2)c1
InChIInChI=1S/C16H22N4OS/c1-11(2)20(3)13-6-4-5-12(9-13)18-16(21)14-10-22-15(19-14)7-8-17/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,21)
InChIKeyNHWRGRPJVVBPPI-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.74
Rot. Bonds6

About 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 120646629) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID120646629
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(C)N(C)c1cccc(NC(=O)c2csc(CCN)n2)c1
InChIInChI=1S/C16H22N4OS/c1-11(2)20(3)13-6-4-5-12(9-13)18-16(21)14-10-22-15(19-14)7-8-17/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,21)
InChIKeyNHWRGRPJVVBPPI-UHFFFAOYSA-N
XLogP2.74
TPSA71.25 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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoate;hydrochloride
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2-(2-aminoethyl)-N-[3-(tert-butylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[3-(2-methoxyethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[2-(dimethylamino)-1,3-benzoxazol-5-yl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(3-chloro-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide
CID 120621387
2-(2-aminoethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 120617738
methyl 2-[[3-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]phenyl]sulfonylamino]acetate
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N-[(3-acetamidophenyl)methyl]-2-(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 120620223
2-(2-aminoethyl)-N-[3-(3,3,3-trifluoropropyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120638651
2-(2-aminoethyl)-N-(3-methyl-4-propan-2-yloxyphenyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120635893
2-(2-aminoethyl)-N-(4-chloro-3-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 66388298
N-[3-[methyl(propan-2-yl)amino]phenyl]-2H-triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide (CID 120646629) is 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide is CC(C)N(C)c1cccc(NC(=O)c2csc(CCN)n2)c1.
What is the InChIKey of 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NHWRGRPJVVBPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-11(2)20(3)13-6-4-5-12(9-13)18-16(21)14-10-22-15(19-14)7-8-17/h4-6,9-11H,7-8,17H2,1-3H3,(H,18,21).
What are the key properties of 2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 318.45 g/mol, XLogP of 2.74, 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-[3-[methyl(propan-2-yl)amino]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120646629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).