2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

C16H21N5OS — CID 120643504

IUPAC2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H21N5OS/c17-7-4-15-20-13(11-23-15)16(22)19-12-5-9-21(10-6-12)14-3-1-2-8-18-14/h1-3,8,11-12H,4-7,9-10,17H2,(H,19,22)
InChIKeyZFACAPFBJUUQBS-UHFFFAOYSA-N
MW331.45 g/mol
LogP1.44
Rot. Bonds5

About 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120643504) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
PubChem CID120643504
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)NC2CCN(c3ccccn3)CC2)cs1
InChIInChI=1S/C16H21N5OS/c17-7-4-15-20-13(11-23-15)16(22)19-12-5-9-21(10-6-12)14-3-1-2-8-18-14/h1-3,8,11-12H,4-7,9-10,17H2,(H,19,22)
InChIKeyZFACAPFBJUUQBS-UHFFFAOYSA-N
XLogP1.44
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-[1-(phenylcarbamoyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(1-ethylsulfonylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;hydrochloride
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2-(2-aminoethyl)-N-[1-(2-amino-2-oxoethyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
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2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120640032
3-bromo-N-(1-pyridin-2-ylpiperidin-4-yl)thiophene-2-carboxamide
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N-(1-pyridin-2-ylpiperidin-4-yl)-2H-triazole-4-carboxamide
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2-(2-aminoethyl)-N-[1-[2-(difluoromethoxy)phenyl]pyrrolidin-3-yl]-1,3-thiazole-4-carboxamide;dihydrochloride
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N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
N-cyclopropyl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-thiazole-2-carboxamide
CID 53158464
2-(2-aminoethyl)-N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide (CID 120643504) is 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)NC2CCN(c3ccccn3)CC2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is ZFACAPFBJUUQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c17-7-4-15-20-13(11-23-15)16(22)19-12-5-9-21(10-6-12)14-3-1-2-8-18-14/h1-3,8,11-12H,4-7,9-10,17H2,(H,19,22).
What are the key properties of 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(1-pyridin-2-ylpiperidin-4-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120643504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).