3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide

C16H23N5OS — CID 72837161

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide
SMILESCc1cc(C)n(CC2(CNC(=O)CCc3csc(N)n3)CC2)n1
InChIInChI=1S/C16H23N5OS/c1-11-7-12(2)21(20-11)10-16(5-6-16)9-18-14(22)4-3-13-8-23-15(17)19-13/h7-8H,3-6,9-10H2,1-2H3,(H2,17,19)(H,18,22)
InChIKeyHWMFNGGUMONTEH-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.07
Rot. Bonds7

About 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide (PubChem CID 72837161) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide
PubChem CID72837161
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide
SMILESCc1cc(C)n(CC2(CNC(=O)CCc3csc(N)n3)CC2)n1
InChIInChI=1S/C16H23N5OS/c1-11-7-12(2)21(20-11)10-16(5-6-16)9-18-14(22)4-3-13-8-23-15(17)19-13/h7-8H,3-6,9-10H2,1-2H3,(H2,17,19)(H,18,22)
InChIKeyHWMFNGGUMONTEH-UHFFFAOYSA-N
XLogP2.07
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 24581304
N-{[2-(1-pyrrolidinyl)-1,3-thiazol-4-yl]methyl}-3-(1,3,5-trimethyl-1H-pyrazol-4-yl)propanamide
CID 70779660
N-{2-[2-(3,5-dimethyl-1-pyrazolyl)-1,3-thiazol-4-yl]ethyl}-(S)-3-cyclohexene-1-carboxamide
CID 97041231
2-{2-[3,5-Dimethyl-4-(prop-2-EN-1-YL)-1H-pyrazol-1-YL]-1,3-thiazol-4-YL}-N-propylacetamide
CID 46269571
N-cyclopropyl-3-(5-{[2-(methylamino)-1,3-thiazol-4-yl]methyl}-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)propanamide
CID 70723173
N-cyclopropyl-3-(3,5-dimethylpyrazol-1-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 72129064
3-(2-amino-1,3-thiazol-4-yl)-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 97853130
1-[4-(2-Amino-1,3-thiazol-4-yl)piperidin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 89514721
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 18130067
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4772593
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-methylpropanamide
CID 19540115
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 19564042

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide (CID 72837161) is 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide is Cc1cc(C)n(CC2(CNC(=O)CCc3csc(N)n3)CC2)n1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
The InChIKey is HWMFNGGUMONTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-11-7-12(2)21(20-11)10-16(5-6-16)9-18-14(22)4-3-13-8-23-15(17)19-13/h7-8H,3-6,9-10H2,1-2H3,(H2,17,19)(H,18,22).
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[[1-[(3,5-dimethylpyrazol-1-yl)methyl]cyclopropyl]methyl]propanamide is sourced from PubChem (CID 72837161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).