2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid

C15H20F3N3O2S — CID 122041577

IUPAC2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C15H20F3N3O2S/c16-15(17,18)14-20-6-12(24-14)5-19-10-3-11(4-10)21(8-13(22)23)7-9-1-2-9/h6,9-11,19H,1-5,7-8H2,(H,22,23)
InChIKeyGQZZHZIHTUXZFY-UHFFFAOYSA-N
MW363.41 g/mol
LogP2.58
Rot. Bonds8

About 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid

2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid (PubChem CID 122041577) has the molecular formula C15H20F3N3O2S and a molecular weight of 363.41 g/mol. Its IUPAC name is 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
PubChem CID122041577
Molecular FormulaC15H20F3N3O2S
Molecular Weight363.41 g/mol
Exact Mass363.12
IUPAC Name2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C1CC(NCc2cnc(C(F)(F)F)s2)C1
InChIInChI=1S/C15H20F3N3O2S/c16-15(17,18)14-20-6-12(24-14)5-19-10-3-11(4-10)21(8-13(22)23)7-9-1-2-9/h6,9-11,19H,1-5,7-8H2,(H,22,23)
InChIKeyGQZZHZIHTUXZFY-UHFFFAOYSA-N
XLogP2.58
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-Methyl-1,3-thiazol-5-yl)methyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257702
3,3,3-Trifluoro-2-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 79789661
3,3,3-Trifluoro-2-methyl-2-(1,3-thiazol-5-ylmethylamino)propanoic acid
CID 112641452
2-[Cyclopropylmethyl-[3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122041570
2-[Ethyl-[3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042377
2-[Ethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid
CID 122042384
2-[Cyclopropylmethyl-[3-[[5-(trifluoromethyl)-1,3-thiazol-2-yl]amino]cyclobutyl]amino]acetic acid
CID 122061244
(2S)-3-methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 139573608
2-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-3-methylbutanoic acid
CID 55176967
2-[(2-Methyl-1,3-thiazol-5-yl)methylamino]propanoic acid
CID 61499825
2-[Cyclopropylmethyl-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]amino]acetic acid
CID 61509459
3-Methyl-2-[(2-methyl-1,3-thiazol-5-yl)methylamino]butanoic acid
CID 61665875

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid (CID 122041577) is 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid is O=C(O)CN(CC1CC1)C1CC(NCc2cnc(C(F)(F)F)s2)C1.
What is the InChIKey of 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid?
The InChIKey is GQZZHZIHTUXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2S/c16-15(17,18)14-20-6-12(24-14)5-19-10-3-11(4-10)21(8-13(22)23)7-9-1-2-9/h6,9-11,19H,1-5,7-8H2,(H,22,23).
What are the key properties of 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid?
2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid has a molecular weight of 363.41 g/mol, XLogP of 2.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl-[3-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methylamino]cyclobutyl]amino]acetic acid is sourced from PubChem (CID 122041577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).