1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine

C12H13FN2S — CID 134795490

IUPAC1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cncs1
InChIInChI=1S/C12H13FN2S/c1-15(8-12-6-14-9-16-12)7-10-2-4-11(13)5-3-10/h2-6,9H,7-8H2,1H3
InChIKeyKEKRXZFYHQQFLE-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.91
Rot. Bonds4

About 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine

1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine (PubChem CID 134795490) has the molecular formula C12H13FN2S and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine
PubChem CID134795490
Molecular FormulaC12H13FN2S
Molecular Weight236.32 g/mol
Exact Mass236.08
IUPAC Name1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine
SMILESCN(Cc1ccc(F)cc1)Cc1cncs1
InChIInChI=1S/C12H13FN2S/c1-15(8-12-6-14-9-16-12)7-10-2-4-11(13)5-3-10/h2-6,9H,7-8H2,1H3
InChIKeyKEKRXZFYHQQFLE-UHFFFAOYSA-N
XLogP2.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-Phenyl-1,3-thiazol-5-yl)methanamine
CID 595758
5-Phenylthiazole
CID 595209
N-methyl-N-[(4-methylphenyl)methyl]-1-[(2-methylsulfanyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 118190306
(2-Phenyl-1,3-thiazol-5-yl)methanamine hydrochloride
CID 2932203
5-Methyl-2-phenyl-1,3-thiazole
CID 551875
2,5-Diphenylthiazole
CID 3014233
3-Benzylthiazolium Bromide
CID 11608558
2-Chloro-5-phenyl-1,3-thiazole
CID 21788840
1-Benzyl-4-[(2-chloro-1,3-thiazol-5-yl)methyl]piperazine
CID 1479744
(NE)-N-[1-(2-phenyl-1,3-thiazol-5-yl)ethylidene]hydroxylamine
CID 5902953
Dimethyl-[2-(5-phenyl-thiazol-2-ylsulfanyl)-ethyl]-amine
CID 44374227
3-[Benzyl(methyl)amino]-1-(5-methyl-1,3-thiazol-2-yl)propan-1-one
CID 46232207

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The IUPAC name of 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine (CID 134795490) is 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine.
What is the SMILES notation for 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The canonical SMILES for 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine is CN(Cc1ccc(F)cc1)Cc1cncs1.
What is the InChIKey of 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
The InChIKey is KEKRXZFYHQQFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2S/c1-15(8-12-6-14-9-16-12)7-10-2-4-11(13)5-3-10/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine?
1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine has a molecular weight of 236.32 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-methyl-N-(1,3-thiazol-5-ylmethyl)methanamine is sourced from PubChem (CID 134795490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).