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

C15H18ClFN2S — CID 114859205

IUPACN-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1nc(C(NC(C)C)c2ccc(Cl)cc2F)sc1C
InChIInChI=1S/C15H18ClFN2S/c1-8(2)18-14(15-19-9(3)10(4)20-15)12-6-5-11(16)7-13(12)17/h5-8,14,18H,1-4H3
InChIKeyVTXNKOZFGYPEQL-UHFFFAOYSA-N
MW312.84 g/mol
LogP4.64
Rot. Bonds4

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

N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 114859205) has the molecular formula C15H18ClFN2S and a molecular weight of 312.84 g/mol. Its IUPAC name is N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID114859205
Molecular FormulaC15H18ClFN2S
Molecular Weight312.84 g/mol
Exact Mass312.09
IUPAC NameN-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCc1nc(C(NC(C)C)c2ccc(Cl)cc2F)sc1C
InChIInChI=1S/C15H18ClFN2S/c1-8(2)18-14(15-19-9(3)10(4)20-15)12-6-5-11(16)7-13(12)17/h5-8,14,18H,1-4H3
InChIKeyVTXNKOZFGYPEQL-UHFFFAOYSA-N
XLogP4.64
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 114859205) is N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is Cc1nc(C(NC(C)C)c2ccc(Cl)cc2F)sc1C.
What is the InChIKey of N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is VTXNKOZFGYPEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2S/c1-8(2)18-14(15-19-9(3)10(4)20-15)12-6-5-11(16)7-13(12)17/h5-8,14,18H,1-4H3.
What are the key properties of N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 312.84 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-2-fluorophenyl)-(4,5-dimethyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 114859205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).