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

C15H20N4OS — CID 50973346

IUPACN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)s1
InChIInChI=1S/C15H20N4OS/c1-4-13-16-9(2)14(21-13)15(20)19(3)8-11-7-12(18-17-11)10-5-6-10/h7,10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyUANGQRSDDITMNV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.89
Rot. Bonds5

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

N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 50973346) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
PubChem CID50973346
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)s1
InChIInChI=1S/C15H20N4OS/c1-4-13-16-9(2)14(21-13)15(20)19(3)8-11-7-12(18-17-11)10-5-6-10/h7,10H,4-6,8H2,1-3H3,(H,17,18)
InChIKeyUANGQRSDDITMNV-UHFFFAOYSA-N
XLogP2.89
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide (CID 50973346) is N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide is CCc1nc(C)c(C(=O)N(C)Cc2cc(C3CC3)n[nH]2)s1.
What is the InChIKey of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is UANGQRSDDITMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-4-13-16-9(2)14(21-13)15(20)19(3)8-11-7-12(18-17-11)10-5-6-10/h7,10H,4-6,8H2,1-3H3,(H,17,18).
What are the key properties of N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide?
N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-2-ethyl-N,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 50973346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).