N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine

C16H14ClN3OS — CID 16660170

IUPACN-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Cl)cc2OCc2ccccc2)n1
InChIInChI=1S/C16H14ClN3OS/c1-11-10-22-16(19-11)20-15-14(7-13(17)8-18-15)21-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyZDMGJDILJHSXTQ-UHFFFAOYSA-N
MW331.83 g/mol
LogP4.82
Rot. Bonds5

About N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine

N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 16660170) has the molecular formula C16H14ClN3OS and a molecular weight of 331.83 g/mol. Its IUPAC name is N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID16660170
Molecular FormulaC16H14ClN3OS
Molecular Weight331.83 g/mol
Exact Mass331.05
IUPAC NameN-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(Nc2ncc(Cl)cc2OCc2ccccc2)n1
InChIInChI=1S/C16H14ClN3OS/c1-11-10-22-16(19-11)20-15-14(7-13(17)8-18-15)21-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyZDMGJDILJHSXTQ-UHFFFAOYSA-N
XLogP4.82
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine (CID 16660170) is N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is Cc1csc(Nc2ncc(Cl)cc2OCc2ccccc2)n1.
What is the InChIKey of N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is ZDMGJDILJHSXTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3OS/c1-11-10-22-16(19-11)20-15-14(7-13(17)8-18-15)21-9-12-5-3-2-4-6-12/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine?
N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 331.83 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-phenylmethoxy-2-pyridinyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 16660170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).