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

C16H20FN3S — CID 62767571

IUPAC5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccccc2F)sc1CNC1CC1
InChIInChI=1S/C16H20FN3S/c1-11-15(9-18-13-7-8-13)21-16(19-11)20(2)10-12-5-3-4-6-14(12)17/h3-6,13,18H,7-10H2,1-2H3
InChIKeyZWSGUXSJUWSUQJ-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.48
Rot. Bonds6

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

5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62767571) has the molecular formula C16H20FN3S and a molecular weight of 305.42 g/mol. Its IUPAC name is 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62767571
Molecular FormulaC16H20FN3S
Molecular Weight305.42 g/mol
Exact Mass305.14
IUPAC Name5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccccc2F)sc1CNC1CC1
InChIInChI=1S/C16H20FN3S/c1-11-15(9-18-13-7-8-13)21-16(19-11)20(2)10-12-5-3-4-6-14(12)17/h3-6,13,18H,7-10H2,1-2H3
InChIKeyZWSGUXSJUWSUQJ-UHFFFAOYSA-N
XLogP3.48
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 62767571) is 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2ccccc2F)sc1CNC1CC1.
What is the InChIKey of 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is ZWSGUXSJUWSUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3S/c1-11-15(9-18-13-7-8-13)21-16(19-11)20(2)10-12-5-3-4-6-14(12)17/h3-6,13,18H,7-10H2,1-2H3.
What are the key properties of 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 305.42 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(cyclopropylamino)methyl]-N-[(2-fluorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).