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

C14H18ClN3S — CID 62749851

IUPAC5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccccc2Cl)sc1C(C)N
InChIInChI=1S/C14H18ClN3S/c1-9(16)13-10(2)17-14(19-13)18(3)8-11-6-4-5-7-12(11)15/h4-7,9H,8,16H2,1-3H3
InChIKeyIZIBSTIQSGYTJS-UHFFFAOYSA-N
MW295.84 g/mol
LogP3.76
Rot. Bonds4

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

5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (PubChem CID 62749851) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
PubChem CID62749851
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC Name5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
SMILESCc1nc(N(C)Cc2ccccc2Cl)sc1C(C)N
InChIInChI=1S/C14H18ClN3S/c1-9(16)13-10(2)17-14(19-13)18(3)8-11-6-4-5-7-12(11)15/h4-7,9H,8,16H2,1-3H3
InChIKeyIZIBSTIQSGYTJS-UHFFFAOYSA-N
XLogP3.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine (CID 62749851) is 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is Cc1nc(N(C)Cc2ccccc2Cl)sc1C(C)N.
What is the InChIKey of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
The InChIKey is IZIBSTIQSGYTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9(16)13-10(2)17-14(19-13)18(3)8-11-6-4-5-7-12(11)15/h4-7,9H,8,16H2,1-3H3.
What are the key properties of 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine?
5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62749851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).