2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide

C10H12F3N3OS — CID 79805203

IUPAC2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1nc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c1-9(14,10(11,12)13)7(17)16-8-15-5-3-2-4-6(5)18-8/h2-4,14H2,1H3,(H,15,16,17)
InChIKeyUWRMMHYEAYFTBE-UHFFFAOYSA-N
MW279.29 g/mol
LogP1.85
Rot. Bonds2

About 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide

2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide (PubChem CID 79805203) has the molecular formula C10H12F3N3OS and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
PubChem CID79805203
Molecular FormulaC10H12F3N3OS
Molecular Weight279.29 g/mol
Exact Mass279.07
IUPAC Name2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide
SMILESCC(N)(C(=O)Nc1nc2c(s1)CCC2)C(F)(F)F
InChIInChI=1S/C10H12F3N3OS/c1-9(14,10(11,12)13)7(17)16-8-15-5-3-2-4-6(5)18-8/h2-4,14H2,1H3,(H,15,16,17)
InChIKeyUWRMMHYEAYFTBE-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpentanamide
CID 54963900
2,2,3,3-tetrafluoro-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 113250817
2-(4-aminophenyl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methylpropanamide
CID 80555214
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
N-(4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[d][1,3]thiazol-2-yl)acetamide
CID 930096
4-tert-butyl-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzamide
CID 3595429
(2R)-2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3-methylbutanamide
CID 79013354
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-methyl-2-piperidin-3-ylpropanamide
CID 83031342
4-N-tert-butyl-1-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)benzene-1,4-dicarboxamide
CID 48850842
2-bromo-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)acetamide
CID 63678785
1-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclobutane-1-carboxamide
CID 81168772
N-[1,1,1,3,3,3-hexafluoro-2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylamino)propan-2-yl]acetamide
CID 4271203

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The IUPAC name of 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide (CID 79805203) is 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The canonical SMILES for 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide is CC(N)(C(=O)Nc1nc2c(s1)CCC2)C(F)(F)F.
What is the InChIKey of 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
The InChIKey is UWRMMHYEAYFTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3OS/c1-9(14,10(11,12)13)7(17)16-8-15-5-3-2-4-6(5)18-8/h2-4,14H2,1H3,(H,15,16,17).
What are the key properties of 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide?
2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide has a molecular weight of 279.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-3,3,3-trifluoro-2-methylpropanamide is sourced from PubChem (CID 79805203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).