6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine

C20H21ClF3N7S — CID 144935030

IUPAC6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine
SMILESC=C(Nc1cc(C(F)(F)F)c(Cl)cn1)c1cnc([C@@H](C)c2ncnc(N)c2C)s1.C=CN
InChIInChI=1S/C18H16ClF3N6S.C2H5N/c1-8-15(26-7-27-16(8)23)9(2)17-25-6-13(29-17)10(3)28-14-4-11(18(20,21)22)12(19)5-24-14;1-2-3/h4-7,9H,3H2,1-2H3,(H,24,28)(H2,23,26,27);2H,1,3H2/t9-;/m0./s1
InChIKeyMHTHXVUFCJLFFP-FVGYRXGTSA-N
MW483.95 g/mol
LogP5.21
Rot. Bonds5

About 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine

6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine (PubChem CID 144935030) has the molecular formula C20H21ClF3N7S and a molecular weight of 483.95 g/mol. Its IUPAC name is 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine.

Molecular Properties

Compound Name6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine
PubChem CID144935030
Molecular FormulaC20H21ClF3N7S
Molecular Weight483.95 g/mol
Exact Mass483.12
IUPAC Name6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine
SMILESC=C(Nc1cc(C(F)(F)F)c(Cl)cn1)c1cnc([C@@H](C)c2ncnc(N)c2C)s1.C=CN
InChIInChI=1S/C18H16ClF3N6S.C2H5N/c1-8-15(26-7-27-16(8)23)9(2)17-25-6-13(29-17)10(3)28-14-4-11(18(20,21)22)12(19)5-24-14;1-2-3/h4-7,9H,3H2,1-2H3,(H,24,28)(H2,23,26,27);2H,1,3H2/t9-;/m0./s1
InChIKeyMHTHXVUFCJLFFP-FVGYRXGTSA-N
XLogP5.21
TPSA115.63 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.95
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine with MolForge

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Related Compounds

N1-(4-(2-chlorophenyl)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-2-yl)-N2,N2-dimethylethane-1,2-diamine
CID 52949671
6-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-methyl-2-(4-pyridin-2-ylbutyl)pyrimidin-4-amine
CID 127042169
4-chloro-5-(difluoromethyl)-6-ethyl-2-pyridin-3-ylsulfanyl-7H-pyrrolo[2,3-d]pyrimidine
CID 52919873
5-(6-(2-Chloro-4-fluorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-propylthiazol-2-amine
CID 52941393
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)thiazol-2-amine
CID 52941436
5-(6-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52941551
5-(2-(2-Chlorophenyl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942573
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-isopropylthiazol-2-amine
CID 52942728
5-(6-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-4-yl)-N-isopropylthiazol-2-amine
CID 52942781
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-ethylthiazol-2-amine
CID 52943899
5-(6-(2-Chlorophenyl)-2-(pyridin-2-yl)pyrimidin-4-yl)-n-cyclobutylthiazol-2-amine
CID 52943906
5-(2-amino-6-(2-chlorophenyl)pyrimidin-4-yl)-N-isopropylthiazol-2-amine
CID 52943970

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine?
The IUPAC name of 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine (CID 144935030) is 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine.
What is the SMILES notation for 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine?
The canonical SMILES for 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine is C=C(Nc1cc(C(F)(F)F)c(Cl)cn1)c1cnc([C@@H](C)c2ncnc(N)c2C)s1.C=CN.
What is the InChIKey of 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine?
The InChIKey is MHTHXVUFCJLFFP-FVGYRXGTSA-N. The full InChI is InChI=1S/C18H16ClF3N6S.C2H5N/c1-8-15(26-7-27-16(8)23)9(2)17-25-6-13(29-17)10(3)28-14-4-11(18(20,21)22)12(19)5-24-14;1-2-3/h4-7,9H,3H2,1-2H3,(H,24,28)(H2,23,26,27);2H,1,3H2/t9-;/m0./s1.
What are the key properties of 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine?
6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine has a molecular weight of 483.95 g/mol, XLogP of 5.21, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-[5-[1-[[5-chloro-4-(trifluoromethyl)-2-pyridinyl]amino]ethenyl]-1,3-thiazol-2-yl]ethyl]-5-methylpyrimidin-4-amine;ethenamine is sourced from PubChem (CID 144935030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).