N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

C13H12F3N3OS2 — CID 86649582

IUPACN-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C3(C(F)(F)F)CC3)n2)s1
InChIInChI=1S/C13H12F3N3OS2/c1-6-9(22-11(17-6)18-7(2)20)8-5-21-10(19-8)12(3-4-12)13(14,15)16/h5H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyJTKOLNWMKVZXCG-UHFFFAOYSA-N
MW347.39 g/mol
LogP4.13
Rot. Bonds3

About N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide

N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (PubChem CID 86649582) has the molecular formula C13H12F3N3OS2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
PubChem CID86649582
Molecular FormulaC13H12F3N3OS2
Molecular Weight347.39 g/mol
Exact Mass347.04
IUPAC NameN-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2csc(C3(C(F)(F)F)CC3)n2)s1
InChIInChI=1S/C13H12F3N3OS2/c1-6-9(22-11(17-6)18-7(2)20)8-5-21-10(19-8)12(3-4-12)13(14,15)16/h5H,3-4H2,1-2H3,(H,17,18,20)
InChIKeyJTKOLNWMKVZXCG-UHFFFAOYSA-N
XLogP4.13
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-2-bromoacetamide
CID 155567806
N-[4-methyl-5-[2-(piperidine-1-carbonyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 141164048
4-[[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazole-2-carbonyl]amino]benzoic acid
CID 11989643
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-(4-methylphenyl)azanium
CID 3341375
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium
CID 3329207
N-[4-methyl-5-[2-(2-phenylethyl)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 161394086
[4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]-phenylazanium bromide
CID 18527007
4-(2-acetamido-4-methyl-1,3-thiazol-5-yl)-N-(2H-tetrazol-5-yl)-1,3-thiazole-2-carboxamide
CID 11989642
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 11258329
N-[5-(2-amino-1,3-thiazol-4-yl)-4-methyl-1,3-thiazol-2-yl]-3-methylbutanamide
CID 28900969
N-[5-[2-(2,3-dihydro-1H-inden-1-ylamino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 91472583
N-[5-[2-[(2-chloro-3-pyridinyl)amino]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 11291515

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide (CID 86649582) is N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2csc(C3(C(F)(F)F)CC3)n2)s1.
What is the InChIKey of N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is JTKOLNWMKVZXCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3N3OS2/c1-6-9(22-11(17-6)18-7(2)20)8-5-21-10(19-8)12(3-4-12)13(14,15)16/h5H,3-4H2,1-2H3,(H,17,18,20).
What are the key properties of N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide?
N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 347.39 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-5-[2-[1-(trifluoromethyl)cyclopropyl]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 86649582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).