2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

C19H28N6O2S — CID 171911391

IUPAC2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)CN1CCCCC1)c1nc(C(=O)Nc2ccn(C)n2)cs1
InChIInChI=1S/C19H28N6O2S/c1-13(2)17(22-16(26)11-25-8-5-4-6-9-25)19-20-14(12-28-19)18(27)21-15-7-10-24(3)23-15/h7,10,12-13,17H,4-6,8-9,11H2,1-3H3,(H,22,26)(H,21,23,27)/t17-/m0/s1
InChIKeyACEZFTZVCMACHJ-KRWDZBQOSA-N
MW404.54 g/mol
LogP2.43
Rot. Bonds7

About 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide

2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (PubChem CID 171911391) has the molecular formula C19H28N6O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
PubChem CID171911391
Molecular FormulaC19H28N6O2S
Molecular Weight404.54 g/mol
Exact Mass404.20
IUPAC Name2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
SMILESCC(C)[C@H](NC(=O)CN1CCCCC1)c1nc(C(=O)Nc2ccn(C)n2)cs1
InChIInChI=1S/C19H28N6O2S/c1-13(2)17(22-16(26)11-25-8-5-4-6-9-25)19-20-14(12-28-19)18(27)21-15-7-10-24(3)23-15/h7,10,12-13,17H,4-6,8-9,11H2,1-3H3,(H,22,26)(H,21,23,27)/t17-/m0/s1
InChIKeyACEZFTZVCMACHJ-KRWDZBQOSA-N
XLogP2.43
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.54
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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2-(4-aminopiperidin-1-yl)-N-(1-methylpyrazol-3-yl)acetamide
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2-(aminomethyl)-N-[4-[[2-(azepan-1-yl)acetyl]amino]phenyl]-1,3-thiazole-4-carboxamide
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2-[(1S)-1-[[2-[(1R)-1-[[2-[(1S)-1-[[2-[(1R)-1-hydrazinyl-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carbonyl]amino]-2-methylpropyl]-1,3-thiazole-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide (CID 171911391) is 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is CC(C)[C@H](NC(=O)CN1CCCCC1)c1nc(C(=O)Nc2ccn(C)n2)cs1.
What is the InChIKey of 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ACEZFTZVCMACHJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N6O2S/c1-13(2)17(22-16(26)11-25-8-5-4-6-9-25)19-20-14(12-28-19)18(27)21-15-7-10-24(3)23-15/h7,10,12-13,17H,4-6,8-9,11H2,1-3H3,(H,22,26)(H,21,23,27)/t17-/m0/s1.
What are the key properties of 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide?
2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 404.54 g/mol, XLogP of 2.43, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-2-methyl-1-[(2-piperidin-1-ylacetyl)amino]propyl]-N-(1-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 171911391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).