N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide

C12H19N3OS — CID 63022016

IUPACN-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1cscn1)C1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-2-7-15(10-3-5-13-6-4-10)12(16)11-8-17-9-14-11/h8-10,13H,2-7H2,1H3
InChIKeyBAFXRIASNZPGFQ-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.75
Rot. Bonds4

About N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide

N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide (PubChem CID 63022016) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
PubChem CID63022016
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC NameN-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide
SMILESCCCN(C(=O)c1cscn1)C1CCNCC1
InChIInChI=1S/C12H19N3OS/c1-2-7-15(10-3-5-13-6-4-10)12(16)11-8-17-9-14-11/h8-10,13H,2-7H2,1H3
InChIKeyBAFXRIASNZPGFQ-UHFFFAOYSA-N
XLogP1.75
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Isopropyl-piperazin-1-yl)-{2-[(2-methoxy-ethylamino)-methyl]-thiazol-4-yl}-methanone
CID 11558917
(4-Isopropyl-piperazin-1-yl)-(2-piperidin-1-ylmethyl-thiazol-4-yl)-methanone
CID 11573599
N-[2-[1-(propylcarbamoylsulfamoyl)piperidin-4-yl]ethyl]-1,3-thiazole-4-carboxamide
CID 12281917
2-methyl-N-[(3R*,4R*)-4-piperidin-1-yltetrahydrofuran-3-yl]-1,3-thiazole-4-carboxamide
CID 50960786
N-cyclopentyl-2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]propanamide
CID 53529845
2-[4-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]piperidin-1-yl]-N-propylacetamide
CID 53531859
2-[(2-Propyl-1,3-thiazol-4-yl)carbonyl]-2,7-diazaspiro[4.5]decane
CID 56751947
1-[(2-Isopropyl-1,3-thiazol-4-yl)carbonyl]-4-azepanamine
CID 56908129
N-[3-[[(2S)-1-[(2S)-2-[[3-[(3-amino-3-oxoprop-1-en-2-yl)amino]-3-oxoprop-1-en-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxopropan-2-yl]amino]-3-oxoprop-1-en-2-yl]-1,3-thiazole-4-carboxamide
CID 90676928
2,9-Diazaspiro[4.5]decan-2-yl(1,3-thiazol-4-yl)methanone
CID 128924626
N-cyclohexyl-1,3-thiazole-4-carboxamide
CID 62045802
N-cycloheptyl-1,3-thiazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide (CID 63022016) is N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide is CCCN(C(=O)c1cscn1)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is BAFXRIASNZPGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-2-7-15(10-3-5-13-6-4-10)12(16)11-8-17-9-14-11/h8-10,13H,2-7H2,1H3.
What are the key properties of N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide?
N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 253.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63022016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).