4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

C19H29N5OS — CID 126766675

IUPAC4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)NCCc3csc(C(C)C)n3)CC2)cn1
InChIInChI=1S/C19H29N5OS/c1-4-24-12-16(11-21-24)15-6-9-23(10-7-15)19(25)20-8-5-17-13-26-18(22-17)14(2)3/h11-15H,4-10H2,1-3H3,(H,20,25)
InChIKeyNUACBNNZYIDJOL-UHFFFAOYSA-N
MW375.54 g/mol
LogP3.61
Rot. Bonds6

About 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide

4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (PubChem CID 126766675) has the molecular formula C19H29N5OS and a molecular weight of 375.54 g/mol. Its IUPAC name is 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
PubChem CID126766675
Molecular FormulaC19H29N5OS
Molecular Weight375.54 g/mol
Exact Mass375.21
IUPAC Name4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide
SMILESCCn1cc(C2CCN(C(=O)NCCc3csc(C(C)C)n3)CC2)cn1
InChIInChI=1S/C19H29N5OS/c1-4-24-12-16(11-21-24)15-6-9-23(10-7-15)19(25)20-8-5-17-13-26-18(22-17)14(2)3/h11-15H,4-10H2,1-3H3,(H,20,25)
InChIKeyNUACBNNZYIDJOL-UHFFFAOYSA-N
XLogP3.61
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.54
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1-ethylpyrazol-4-yl)-N-[(2R)-2-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124619050
(3aR,6aR)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxamide
CID 124568089
2-methyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]thiomorpholine-4-carboxamide
CID 71933418
4-(1-ethylpyrazol-4-yl)-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 124596967
N'-methyl-3-phenyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111723011
N'-methyl-4-(oxolane-2-carbonyl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperazine-1-carboximidamide
CID 111300397
4-[4-[2-(2-methylpropanoylamino)ethyl]-1,3-thiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 71841858
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 120940510
N',3,3-trimethyl-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-1-carboximidamide
CID 111738430
cis-(1R,2S)-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125132098
2-amino-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide;dihydrochloride
CID 119869470
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The IUPAC name of 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide (CID 126766675) is 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is CCn1cc(C2CCN(C(=O)NCCc3csc(C(C)C)n3)CC2)cn1.
What is the InChIKey of 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
The InChIKey is NUACBNNZYIDJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5OS/c1-4-24-12-16(11-21-24)15-6-9-23(10-7-15)19(25)20-8-5-17-13-26-18(22-17)14(2)3/h11-15H,4-10H2,1-3H3,(H,20,25).
What are the key properties of 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide?
4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide has a molecular weight of 375.54 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]piperidine-1-carboxamide is sourced from PubChem (CID 126766675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).