2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

C18H20N4OS — CID 95314518

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C18H20N4OS/c1-12-9-13(2)22(21-12)10-17(23)19-14(3)18-20-16(11-24-18)15-7-5-4-6-8-15/h4-9,11,14H,10H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyPTNNFCAFIBLSHV-CQSZACIVSA-N
MW340.45 g/mol
LogP3.50
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (PubChem CID 95314518) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
PubChem CID95314518
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
SMILESCc1cc(C)n(CC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)n1
InChIInChI=1S/C18H20N4OS/c1-12-9-13(2)22(21-12)10-17(23)19-14(3)18-20-16(11-24-18)15-7-5-4-6-8-15/h4-9,11,14H,10H2,1-3H3,(H,19,23)/t14-/m1/s1
InChIKeyPTNNFCAFIBLSHV-CQSZACIVSA-N
XLogP3.50
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 800348
1,1-diethyl-3-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 95760758
2-(cyclopropylmethylamino)-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 119778952
8-oxo-N-[(1S)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]nonanamide
CID 97089517
2-(3,5-dimethylpyrazol-1-yl)-N-propan-2-ylacetamide
CID 19525814
methyl 2-[[2-(5-methyl-3-phenylpyrazol-1-yl)acetyl]amino]propanoate
CID 70669546
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]propanoic acid
CID 43648205
2-(3,5-dimethylpyrazol-1-yl)-N-[(1S)-2-methyl-1-thiophen-2-ylpropyl]acetamide
CID 7447508
2-(3,5-dimethylpyrazol-1-yl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 47317448
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]butanoic acid
CID 43648238
2-[[2-(3,5-dimethylpyrazol-1-yl)acetyl]amino]-3-hydroxypropanoic acid
CID 43648215
3-amino-2-methyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)ethyl]butanamide
CID 120500624

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide (CID 95314518) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is Cc1cc(C)n(CC(=O)N[C@H](C)c2nc(-c3ccccc3)cs2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
The InChIKey is PTNNFCAFIBLSHV-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-9-13(2)22(21-12)10-17(23)19-14(3)18-20-16(11-24-18)15-7-5-4-6-8-15/h4-9,11,14H,10H2,1-3H3,(H,19,23)/t14-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide has a molecular weight of 340.45 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(1R)-1-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 95314518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).