2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide

C17H17F3N3OS- — CID 158828775

IUPAC2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide
SMILESCc1nc(C(=O)N(CC[NH-])C2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H17F3N3OS/c1-10-22-14(16(24)23(8-7-21)13-5-6-13)15(25-10)11-3-2-4-12(9-11)17(18,19)20/h2-4,9,13,21H,5-8H2,1H3/q-1
InChIKeyIWUBHERQLMBHHC-UHFFFAOYSA-N
MW368.40 g/mol
LogP4.79
Rot. Bonds5

About 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide

2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide (PubChem CID 158828775) has the molecular formula C17H17F3N3OS- and a molecular weight of 368.40 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide.

Molecular Properties

Compound Name2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide
PubChem CID158828775
Molecular FormulaC17H17F3N3OS-
Molecular Weight368.40 g/mol
Exact Mass368.10
IUPAC Name2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide
SMILESCc1nc(C(=O)N(CC[NH-])C2CC2)c(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C17H17F3N3OS/c1-10-22-14(16(24)23(8-7-21)13-5-6-13)15(25-10)11-3-2-4-12(9-11)17(18,19)20/h2-4,9,13,21H,5-8H2,1H3/q-1
InChIKeyIWUBHERQLMBHHC-UHFFFAOYSA-N
XLogP4.79
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopropylmethyl 2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 159585997
N-(2-aminoethyl)-N-cyclopropyl-5-(3-methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 68724103
N-[2-[cyclopropylmethyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 67446495
2-methyl-5-phenyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 43854625
[(2S)-2-(4-methylsulfanyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 72694787
[(1S,2S,5R)-2-[[(5-bromopyrimidin-2-yl)amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methanone
CID 68634995
N-[[(2S,3aS,6aS)-1-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]-3,3a,4,5,6,6a-hexahydro-2H-cyclopenta[b]pyrrol-2-yl]methyl]-2,3-dihydro-1-benzofuran-4-carboxamide
CID 25147776
methyl 2-bromo-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxylate
CID 66844262
N-[2-[[2-amino-5-(3-methylphenyl)-1,3-thiazole-4-carbonyl]-cyclopropylamino]ethyl]-6-methylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 25190082
N-[2-(1-benzofuran-4-carbonylamino)ethyl]-N-cyclopropyl-2-methyl-5-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 67448612
N-cyclohexyl-N-ethyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-carboxamide
CID 46082752
N-methyl-N-piperidin-4-yl-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119443831

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide?
The IUPAC name of 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide (CID 158828775) is 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide.
What is the SMILES notation for 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide?
The canonical SMILES for 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide is Cc1nc(C(=O)N(CC[NH-])C2CC2)c(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide?
The InChIKey is IWUBHERQLMBHHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N3OS/c1-10-22-14(16(24)23(8-7-21)13-5-6-13)15(25-10)11-3-2-4-12(9-11)17(18,19)20/h2-4,9,13,21H,5-8H2,1H3/q-1.
What are the key properties of 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide?
2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide has a molecular weight of 368.40 g/mol, XLogP of 4.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-methyl-5-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carbonyl]amino]ethylazanide is sourced from PubChem (CID 158828775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).