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

C16H24N4OS — CID 56743953

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(C)s1
InChIInChI=1S/C16H24N4OS/c1-10-13(17-11(2)22-10)8-15(21)20(6)9-12-7-14(19-18-12)16(3,4)5/h7H,8-9H2,1-6H3,(H,18,19)
InChIKeyGUFLNHVIHRJHLS-UHFFFAOYSA-N
MW320.46 g/mol
LogP2.98
Rot. Bonds4

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

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide (PubChem CID 56743953) has the molecular formula C16H24N4OS and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
PubChem CID56743953
Molecular FormulaC16H24N4OS
Molecular Weight320.46 g/mol
Exact Mass320.17
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide
SMILESCc1nc(CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(C)s1
InChIInChI=1S/C16H24N4OS/c1-10-13(17-11(2)22-10)8-15(21)20(6)9-12-7-14(19-18-12)16(3,4)5/h7H,8-9H2,1-6H3,(H,18,19)
InChIKeyGUFLNHVIHRJHLS-UHFFFAOYSA-N
XLogP2.98
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 52.98
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]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide (CID 56743953) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide is Cc1nc(CC(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)c(C)s1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
The InChIKey is GUFLNHVIHRJHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4OS/c1-10-13(17-11(2)22-10)8-15(21)20(6)9-12-7-14(19-18-12)16(3,4)5/h7H,8-9H2,1-6H3,(H,18,19).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide has a molecular weight of 320.46 g/mol, XLogP of 2.98, 4 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]-2-(2,5-dimethyl-1,3-thiazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 56743953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).