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

C14H11FN4S — CID 141147891

IUPACN-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
SMILESFc1ccc(C(Nc2ncccn2)c2nccs2)cc1
InChIInChI=1S/C14H11FN4S/c15-11-4-2-10(3-5-11)12(13-16-8-9-20-13)19-14-17-6-1-7-18-14/h1-9,12H,(H,17,18,19)
InChIKeyKQEBAABWLFTVAK-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.27
Rot. Bonds4

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

N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine (PubChem CID 141147891) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
PubChem CID141147891
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC NameN-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine
SMILESFc1ccc(C(Nc2ncccn2)c2nccs2)cc1
InChIInChI=1S/C14H11FN4S/c15-11-4-2-10(3-5-11)12(13-16-8-9-20-13)19-14-17-6-1-7-18-14/h1-9,12H,(H,17,18,19)
InChIKeyKQEBAABWLFTVAK-UHFFFAOYSA-N
XLogP3.27
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-fluoro-N-[(4-fluorophenyl)-pyrimidin-2-ylmethyl]aniline
CID 132513528
1-(3-chloro-4-fluorophenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 81154688
5-nitro-2-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidine-2,4-diamine
CID 133299726
N-[(3-chloro-4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 81154689
2,6-dimethyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrimidin-4-amine
CID 133299720
N-[(2,4-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61336170
N-[(4-phenylphenyl)-(1,3-thiazol-2-yl)methyl]ethanamine
CID 61329994
N-[(2,5-difluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61335969
1-(4-fluoro-2-methylphenyl)-N-methyl-1-(1,3-thiazol-2-yl)methanamine
CID 62135503
1,3-thiazol-2-yl-[2-(trifluoromethyl)phenyl]methanamine
CID 61332053
N-[(3-fluorophenyl)-(1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61332798
6-methyl-N-[phenyl(1,3-thiazol-2-yl)methyl]pyrazin-2-amine
CID 133470230

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine (CID 141147891) is N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine is Fc1ccc(C(Nc2ncccn2)c2nccs2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
The InChIKey is KQEBAABWLFTVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-11-4-2-10(3-5-11)12(13-16-8-9-20-13)19-14-17-6-1-7-18-14/h1-9,12H,(H,17,18,19).
What are the key properties of N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine?
N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine has a molecular weight of 286.34 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)-(1,3-thiazol-2-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 141147891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).