1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

C16H14ClN3S — CID 60711332

IUPAC1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESClc1cccc(CNCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H14ClN3S/c17-13-5-3-4-12(8-13)9-18-10-14-11-21-16(20-14)15-6-1-2-7-19-15/h1-8,11,18H,9-10H2
InChIKeyUCBCXTXLQFYZPU-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.15
Rot. Bonds5

About 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine

1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (PubChem CID 60711332) has the molecular formula C16H14ClN3S and a molecular weight of 315.83 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
PubChem CID60711332
Molecular FormulaC16H14ClN3S
Molecular Weight315.83 g/mol
Exact Mass315.06
IUPAC Name1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine
SMILESClc1cccc(CNCc2csc(-c3ccccn3)n2)c1
InChIInChI=1S/C16H14ClN3S/c17-13-5-3-4-12(8-13)9-18-10-14-11-21-16(20-14)15-6-1-2-7-19-15/h1-8,11,18H,9-10H2
InChIKeyUCBCXTXLQFYZPU-UHFFFAOYSA-N
XLogP4.15
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine (CID 60711332) is 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is Clc1cccc(CNCc2csc(-c3ccccn3)n2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
The InChIKey is UCBCXTXLQFYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3S/c17-13-5-3-4-12(8-13)9-18-10-14-11-21-16(20-14)15-6-1-2-7-19-15/h1-8,11,18H,9-10H2.
What are the key properties of 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine?
1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine has a molecular weight of 315.83 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]methanamine is sourced from PubChem (CID 60711332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).