3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide

C13H18N4OS — CID 138996177

IUPAC3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
SMILESCc1ncsc1NC(=O)CC(C)c1c(C)n[nH]c1C
InChIInChI=1S/C13H18N4OS/c1-7(12-8(2)16-17-9(12)3)5-11(18)15-13-10(4)14-6-19-13/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGFKMWVVBPHEVBA-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.92
Rot. Bonds4

About 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide

3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide (PubChem CID 138996177) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
PubChem CID138996177
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide
SMILESCc1ncsc1NC(=O)CC(C)c1c(C)n[nH]c1C
InChIInChI=1S/C13H18N4OS/c1-7(12-8(2)16-17-9(12)3)5-11(18)15-13-10(4)14-6-19-13/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17)
InChIKeyGFKMWVVBPHEVBA-UHFFFAOYSA-N
XLogP2.92
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-3-(4-methyl-1,3-thiazol-5-yl)-N-(1,4,5,6-tetrahydrocyclopenta[c]pyrazol-3-ylmethyl)propanamide
CID 70768411
N-[3-(3,5-dimethyl-1H-pyrazol-4-yl)propyl]-2-(2,5-dimethyl-1,3-thiazol-4-yl)acetamide
CID 91843321
(2S)-3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-N,2-dimethylpropanamide
CID 95908254
N-[(5-Cyclopropyl-1H-pyrazol-3-YL)methyl]-N-methyl-3-(4-methyl-1,3-thiazol-5-YL)propanamide
CID 50962403
3-(3,5-Dimethyl-1H-pyrazol-4-YL)-N-[(2-isopropyl-1,3-thiazol-4-YL)methyl]-N-methylpropanamide
CID 70725774
3-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]propanamide
CID 71866866
N-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 72102543
1-[4-(4-ethyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 28097229
N-[2-(4-ethyl-5-methyl-1,3-thiazol-2-yl)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 53575027
4-amino-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 55172441
N-methyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70720596
N-(1,4,5,6,7,8-hexahydrocyclohepta[c]pyrazol-3-ylmethyl)-N-methyl-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 70729987

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
The IUPAC name of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide (CID 138996177) is 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
The canonical SMILES for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide is Cc1ncsc1NC(=O)CC(C)c1c(C)n[nH]c1C.
What is the InChIKey of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
The InChIKey is GFKMWVVBPHEVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-7(12-8(2)16-17-9(12)3)5-11(18)15-13-10(4)14-6-19-13/h6-7H,5H2,1-4H3,(H,15,18)(H,16,17).
What are the key properties of 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide?
3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide has a molecular weight of 278.38 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(4-methyl-1,3-thiazol-5-yl)butanamide is sourced from PubChem (CID 138996177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).