2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid

C17H13F3N4O2S — CID 58742227

IUPAC2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccnc(NCC(=O)O)n1
InChIInChI=1S/C17H13F3N4O2S/c1-9-14(12-6-7-21-16(24-12)22-8-13(25)26)27-15(23-9)10-2-4-11(5-3-10)17(18,19)20/h2-7H,8H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyYUOPUXUJYJCNRP-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.09
Rot. Bonds5

About 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid

2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid (PubChem CID 58742227) has the molecular formula C17H13F3N4O2S and a molecular weight of 394.38 g/mol. Its IUPAC name is 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid
PubChem CID58742227
Molecular FormulaC17H13F3N4O2S
Molecular Weight394.38 g/mol
Exact Mass394.07
IUPAC Name2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid
SMILESCc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccnc(NCC(=O)O)n1
InChIInChI=1S/C17H13F3N4O2S/c1-9-14(12-6-7-21-16(24-12)22-8-13(25)26)27-15(23-9)10-2-4-11(5-3-10)17(18,19)20/h2-7H,8H2,1H3,(H,25,26)(H,21,22,24)
InChIKeyYUOPUXUJYJCNRP-UHFFFAOYSA-N
XLogP4.09
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid with MolForge

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Related Compounds

2-amino-5-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]pentanoic acid
CID 138805636
N'-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]butane-1,4-diamine
CID 155982404
4-methyl-N-pyrimidin-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 29368838
2-[2-methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfinyl]phenoxy]acetic acid
CID 71464601
N-(3,4-difluorophenyl)-4-(4-methyl-2-phenyl-1,3-thiazol-5-yl)pyrimidin-2-amine
CID 10091163
2-[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]phenoxy]-1-morpholin-4-ylethanone
CID 72947523
4-[[[4-[2-[dimethylamino(methyl)carbamoyl]-4-methyl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]methyl]benzoic acid
CID 66622091
4-[4-methyl-2-(6-methyl-3-pyridinyl)-1,3-thiazol-5-yl]-N-phenylpyrimidin-2-amine
CID 141131257
N-[[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-4-(trifluoromethyl)benzamide
CID 1477992
methyl 2-amino-3-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]propanoate
CID 170883578
2-[4-[ethyl-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methyl]amino]-2-methylphenoxy]acetic acid
CID 11317226
2-[[7-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]-1-benzofuran-4-yl]oxy]acetic acid
CID 10127969

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid?
The IUPAC name of 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid (CID 58742227) is 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid?
The canonical SMILES for 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid is Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1-c1ccnc(NCC(=O)O)n1.
What is the InChIKey of 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid?
The InChIKey is YUOPUXUJYJCNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O2S/c1-9-14(12-6-7-21-16(24-12)22-8-13(25)26)27-15(23-9)10-2-4-11(5-3-10)17(18,19)20/h2-7H,8H2,1H3,(H,25,26)(H,21,22,24).
What are the key properties of 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid?
2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid has a molecular weight of 394.38 g/mol, XLogP of 4.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]acetic acid is sourced from PubChem (CID 58742227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).