5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

C14H9ClF2N4S — CID 91326053

IUPAC5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(CNc2ncc(-c3nc(Cl)ncc3F)s2)cc1
InChIInChI=1S/C14H9ClF2N4S/c15-13-18-6-10(17)12(21-13)11-7-20-14(22-11)19-5-8-1-3-9(16)4-2-8/h1-4,6-7H,5H2,(H,19,20)
InChIKeyBYOMVHLPAVETGI-UHFFFAOYSA-N
MW338.77 g/mol
LogP4.14
Rot. Bonds4

About 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine

5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (PubChem CID 91326053) has the molecular formula C14H9ClF2N4S and a molecular weight of 338.77 g/mol. Its IUPAC name is 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
PubChem CID91326053
Molecular FormulaC14H9ClF2N4S
Molecular Weight338.77 g/mol
Exact Mass338.02
IUPAC Name5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine
SMILESFc1ccc(CNc2ncc(-c3nc(Cl)ncc3F)s2)cc1
InChIInChI=1S/C14H9ClF2N4S/c15-13-18-6-10(17)12(21-13)11-7-20-14(22-11)19-5-8-1-3-9(16)4-2-8/h1-4,6-7H,5H2,(H,19,20)
InChIKeyBYOMVHLPAVETGI-UHFFFAOYSA-N
XLogP4.14
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.77
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-Dimethyl-1,3-thiazol-5-yl)-N-[4-(trifluoromethyl)phenyl]-2-pyrimidinamine
CID 447958
Aminothiazole 5
CID 5329387
Aminothiazole 6
CID 5329388
Aminothiazole 8
CID 5329390
N-(6-methylpyridin-2-yl)-5-phenyl-1,3-thiazol-2-amine
CID 5329394
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(3-fluorophenyl)pyrimidin-2-amine
CID 6539285
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(4-fluorophenyl)pyrimidin-2-amine
CID 6539286
N1-(4-(2-chlorophenyl)-6-(2-(isopropylamino)thiazol-5-yl)pyrimidin-2-yl)-N2,N2-dimethylethane-1,2-diamine
CID 52949671
N-(4-Fluorophenyl)-4-(4-pyridinyl)-1,3-thiazol-2-amine
CID 667583
(4-(4-Fluorophenyl)(2,5-thiazolyl))-2-pyridylamine
CID 1092430
4-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(2-fluorophenyl)pyrimidin-2-amine
CID 6539284
(3-Aminomethyl-phenyl)-[4-(4-methyl-2-methylamino-thiazol-5-yl)-pyrimidin-2-yl]-amine
CID 10042059

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine (CID 91326053) is 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is Fc1ccc(CNc2ncc(-c3nc(Cl)ncc3F)s2)cc1.
What is the InChIKey of 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is BYOMVHLPAVETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2N4S/c15-13-18-6-10(17)12(21-13)11-7-20-14(22-11)19-5-8-1-3-9(16)4-2-8/h1-4,6-7H,5H2,(H,19,20).
What are the key properties of 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine?
5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 338.77 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-fluoropyrimidin-4-yl)-N-[(4-fluorophenyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 91326053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).