N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

C12H16N4OS — CID 91833520

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)c2cncs2)[nH]n1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)10-4-8(15-16-10)5-14-11(17)9-6-13-7-18-9/h4,6-7H,5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGGJLHFOFLLBKLL-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.09
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 91833520) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID91833520
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1cc(CNC(=O)c2cncs2)[nH]n1
InChIInChI=1S/C12H16N4OS/c1-12(2,3)10-4-8(15-16-10)5-14-11(17)9-6-13-7-18-9/h4,6-7H,5H2,1-3H3,(H,14,17)(H,15,16)
InChIKeyGGJLHFOFLLBKLL-UHFFFAOYSA-N
XLogP2.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1H-pyrazol-5-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110257828
N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-1H-pyrazole-4-carboxamide
CID 77090366
N-methyl-5-propyl-N-[(1S)-1-(1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 97115981
N-({1-[(5-methyl-1H-pyrazol-3-yl)methyl]piperidin-4-yl}methyl)-1,3-thiazole-5-carboxamide
CID 131927635
2-tert-butyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47405033
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
CID 50975135
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
CID 56743953
3-(1H-pyrazol-5-yl)-1-{[2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]carbonyl}piperidine
CID 56754467
2-(1-pyrrolidinylmethyl)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 28071604
5-cyclopropyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 29085523
2-phenyl-N-(1H-pyrazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 47056582
2-ethyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,3-thiazole-5-carboxamide
CID 47429730

Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (CID 91833520) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is CC(C)(C)c1cc(CNC(=O)c2cncs2)[nH]n1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GGJLHFOFLLBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-12(2,3)10-4-8(15-16-10)5-14-11(17)9-6-13-7-18-9/h4,6-7H,5H2,1-3H3,(H,14,17)(H,15,16).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 264.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 91833520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).