N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide

C14H20N4OS — CID 50975135

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cs1
InChIInChI=1S/C14H20N4OS/c1-9-15-11(8-20-9)13(19)18(5)7-10-6-12(17-16-10)14(2,3)4/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyQHLDNEYODLFIFG-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.74
Rot. Bonds3

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide (PubChem CID 50975135) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
PubChem CID50975135
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cs1
InChIInChI=1S/C14H20N4OS/c1-9-15-11(8-20-9)13(19)18(5)7-10-6-12(17-16-10)14(2,3)4/h6,8H,7H2,1-5H3,(H,16,17)
InChIKeyQHLDNEYODLFIFG-UHFFFAOYSA-N
XLogP2.74
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide (CID 50975135) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)cs1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
The InChIKey is QHLDNEYODLFIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-15-11(8-20-9)13(19)18(5)7-10-6-12(17-16-10)14(2,3)4/h6,8H,7H2,1-5H3,(H,16,17).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N,2-dimethyl-1,3-thiazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 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]-N,2-dimethyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 50975135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).