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

C15H19FN2S — CID 61334622

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
SMILESCc1nc(C(NC(C)C)c2ccccc2F)sc1C
InChIInChI=1S/C15H19FN2S/c1-9(2)17-14(12-7-5-6-8-13(12)16)15-18-10(3)11(4)19-15/h5-9,14,17H,1-4H3
InChIKeyMCMJRVTWQGFQEO-UHFFFAOYSA-N
MW278.40 g/mol
LogP3.99
Rot. Bonds4

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

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine (PubChem CID 61334622) has the molecular formula C15H19FN2S and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
PubChem CID61334622
Molecular FormulaC15H19FN2S
Molecular Weight278.40 g/mol
Exact Mass278.13
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine
SMILESCc1nc(C(NC(C)C)c2ccccc2F)sc1C
InChIInChI=1S/C15H19FN2S/c1-9(2)17-14(12-7-5-6-8-13(12)16)15-18-10(3)11(4)19-15/h5-9,14,17H,1-4H3
InChIKeyMCMJRVTWQGFQEO-UHFFFAOYSA-N
XLogP3.99
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 114859205
N-[(2,3-difluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 63668613
N-[(2,6-dichlorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61334031
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]ethanamine
CID 63667756
N-[(2,3-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 63668272
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-methylphenyl)methyl]propan-2-amine
CID 61336192
N-[(2,6-difluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61334582
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(4-ethylphenyl)methyl]propan-2-amine
CID 61335017
1-[2-(difluoromethoxy)phenyl]-1-(4,5-dimethyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 61331924
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
CID 62345229
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-ethoxyphenyl)methyl]cyclopropanamine
CID 61335837
1-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(4-fluorophenyl)-N-methylmethanamine
CID 61332320

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine (CID 61334622) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine is Cc1nc(C(NC(C)C)c2ccccc2F)sc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine?
The InChIKey is MCMJRVTWQGFQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2S/c1-9(2)17-14(12-7-5-6-8-13(12)16)15-18-10(3)11(4)19-15/h5-9,14,17H,1-4H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine has a molecular weight of 278.40 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(2-fluorophenyl)methyl]propan-2-amine is sourced from PubChem (CID 61334622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).