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

C13H18N4OS — CID 72934460

IUPACN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C13H18N4OS/c1-4-5-12-15-11(7-19-12)13(18)14-6-10-8(2)16-17-9(10)3/h7H,4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZZPPOJMAINWKCI-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.37
Rot. Bonds5

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

N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide (PubChem CID 72934460) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
PubChem CID72934460
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC NameN-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
SMILESCCCc1nc(C(=O)NCc2c(C)n[nH]c2C)cs1
InChIInChI=1S/C13H18N4OS/c1-4-5-12-15-11(7-19-12)13(18)14-6-10-8(2)16-17-9(10)3/h7H,4-6H2,1-3H3,(H,14,18)(H,16,17)
InChIKeyZZPPOJMAINWKCI-UHFFFAOYSA-N
XLogP2.37
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-isopropyl-2-methyl-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 50962766
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 50973597
N-[2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 50974363
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 70729813
2-amino-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-{2-[(methylthio)methyl]-1,3-thiazol-4-yl}ethyl)acetamide
CID 72848138
2-Amino-2-(3,5-dimethyl-1H-pyrazol-4-YL)-N-[2-(2-isopropyl-1,3-thiazol-4-YL)ethyl]acetamide
CID 72866373
N-{2-methyl-3-[3-methyl-5-(trifluoromethyl)-1H-pyrazol-1-yl]propyl}-2-propyl-1,3-thiazole-4-carboxamide
CID 72917099
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 45804051
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71684185
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]acetamide
CID 129613960
2-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 131904703
3-cyclopropyl-5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-4-carboxamide
CID 131904718

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide (CID 72934460) is N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide is CCCc1nc(C(=O)NCc2c(C)n[nH]c2C)cs1.
What is the InChIKey of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
The InChIKey is ZZPPOJMAINWKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-4-5-12-15-11(7-19-12)13(18)14-6-10-8(2)16-17-9(10)3/h7H,4-6H2,1-3H3,(H,14,18)(H,16,17).
What are the key properties of N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide?
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 72934460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).