2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide

C14H18F3N5OS — CID 118775996

IUPAC2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCn2nc(C(F)(F)F)cc2C)s1
InChIInChI=1S/C14H18F3N5OS/c1-4-18-13-20-9(3)11(24-13)12(23)19-5-6-22-8(2)7-10(21-22)14(15,16)17/h7H,4-6H2,1-3H3,(H,18,20)(H,19,23)
InChIKeyVLPYKCNZMRZQSJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.84
Rot. Bonds6

About 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide

2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide (PubChem CID 118775996) has the molecular formula C14H18F3N5OS and a molecular weight of 361.39 g/mol. Its IUPAC name is 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide
PubChem CID118775996
Molecular FormulaC14H18F3N5OS
Molecular Weight361.39 g/mol
Exact Mass361.12
IUPAC Name2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(C)c(C(=O)NCCn2nc(C(F)(F)F)cc2C)s1
InChIInChI=1S/C14H18F3N5OS/c1-4-18-13-20-9(3)11(24-13)12(23)19-5-6-22-8(2)7-10(21-22)14(15,16)17/h7H,4-6H2,1-3H3,(H,18,20)(H,19,23)
InChIKeyVLPYKCNZMRZQSJ-UHFFFAOYSA-N
XLogP2.84
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10065972, Example 313
CID 124154652
N-(5-acetyl-4-methylthiazol-2-yl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 16952132
N-(5-acetyl-4-methylthiazol-2-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
CID 16952740
N-(4-(2-amino-2-oxoethyl)thiazol-2-yl)-2-(3,5-dimethyl-1H-pyrazol-1-yl)acetamide
CID 49720286
1,3,5-trimethyl-N-[1-[4-(trifluoromethyl)-1,3-thiazol-2-yl]propyl]pyrazole-4-carboxamide
CID 71868743
3-(2-amino-1,3-thiazol-4-yl)-N-[(2S)-2-(3,5-dimethylpyrazol-1-yl)propyl]propanamide
CID 97853130
2-(ethylamino)-4-methyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
CID 99983093
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)acetamide
CID 5143326
N-(4-methyl-1,3-thiazol-2-yl)-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 19579726
2-[4-[2-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]acetyl]piperazin-1-yl]-1,3-thiazole-4-carboxamide
CID 67608548
1-[4-(4-Amino-1,3-thiazol-2-yl)piperazin-1-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanone
CID 67608550
1-[5-(difluoromethyl)-6-ethyl-7-oxo-[1,3]thiazolo[5,4-d]pyrimidin-2-yl]-N-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrolidine-2-carboxamide
CID 124154654

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide (CID 118775996) is 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide is CCNc1nc(C)c(C(=O)NCCn2nc(C(F)(F)F)cc2C)s1.
What is the InChIKey of 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
The InChIKey is VLPYKCNZMRZQSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N5OS/c1-4-18-13-20-9(3)11(24-13)12(23)19-5-6-22-8(2)7-10(21-22)14(15,16)17/h7H,4-6H2,1-3H3,(H,18,20)(H,19,23).
What are the key properties of 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide?
2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 2.84, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-methyl-N-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 118775996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).