2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

C19H20F3N3O3S — CID 51044583

IUPAC2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(c1nc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1)C1CCCC1
InChIInChI=1S/C19H20F3N3O3S/c1-11-16(29-18(23-11)25(12(2)26)14-5-3-4-6-14)17(27)24-13-7-9-15(10-8-13)28-19(20,21)22/h7-10,14H,3-6H2,1-2H3,(H,24,27)
InChIKeyMTJJCXAQPZQKOV-UHFFFAOYSA-N
MW427.45 g/mol
LogP4.90
Rot. Bonds5

About 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide

2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 51044583) has the molecular formula C19H20F3N3O3S and a molecular weight of 427.45 g/mol. Its IUPAC name is 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID51044583
Molecular FormulaC19H20F3N3O3S
Molecular Weight427.45 g/mol
Exact Mass427.12
IUPAC Name2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
SMILESCC(=O)N(c1nc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1)C1CCCC1
InChIInChI=1S/C19H20F3N3O3S/c1-11-16(29-18(23-11)25(12(2)26)14-5-3-4-6-14)17(27)24-13-7-9-15(10-8-13)28-19(20,21)22/h7-10,14H,3-6H2,1-2H3,(H,24,27)
InChIKeyMTJJCXAQPZQKOV-UHFFFAOYSA-N
XLogP4.90
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-2-pyrimidin-2-yl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 55810916
2-(benzenesulfonamido)-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide
CID 16944408
2-[cycloheptyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 16577681
2-[cyclohexyl(methyl)amino]-N-[4-(trifluoromethoxy)phenyl]acetamide chloride
CID 53351089
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
N-(4-chlorophenyl)-2-(cyclohexanecarbonylamino)-4-methyl-1,3-thiazole-5-carboxamide
CID 1468167
3-amino-6-methyl-N-[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048212
4-methyl-2-[4-(trifluoromethoxy)anilino]-1,3-thiazole-5-carboxylic acid
CID 75176671
2-[(4-fluorophenyl)carbamoylamino]-N-(4-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 16897770
3-amino-4-methyl-N-[4-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 87048219
2-(dimethylamino)-4-methyl-N-phenyl-1,3-thiazole-5-carboxamide
CID 8893174
2-amino-N-[4-(trifluoromethoxy)phenyl]cyclopentane-1-carboxamide
CID 64818115

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide (CID 51044583) is 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is CC(=O)N(c1nc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)s1)C1CCCC1.
What is the InChIKey of 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is MTJJCXAQPZQKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N3O3S/c1-11-16(29-18(23-11)25(12(2)26)14-5-3-4-6-14)17(27)24-13-7-9-15(10-8-13)28-19(20,21)22/h7-10,14H,3-6H2,1-2H3,(H,24,27).
What are the key properties of 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide?
2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 427.45 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(cyclopentyl)amino]-4-methyl-N-[4-(trifluoromethoxy)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 51044583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).