N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine

C14H13N3OS — CID 69188396

IUPACN-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine
SMILESCOc1ccc(CNc2cncc3ncsc23)cc1
InChIInChI=1S/C14H13N3OS/c1-18-11-4-2-10(3-5-11)6-16-12-7-15-8-13-14(12)19-9-17-13/h2-5,7-9,16H,6H2,1H3
InChIKeyYFVUPGKWGFVDPL-UHFFFAOYSA-N
MW271.35 g/mol
LogP3.31
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine

N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine (PubChem CID 69188396) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine
PubChem CID69188396
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine
SMILESCOc1ccc(CNc2cncc3ncsc23)cc1
InChIInChI=1S/C14H13N3OS/c1-18-11-4-2-10(3-5-11)6-16-12-7-15-8-13-14(12)19-9-17-13/h2-5,7-9,16H,6H2,1H3
InChIKeyYFVUPGKWGFVDPL-UHFFFAOYSA-N
XLogP3.31
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine (CID 69188396) is N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine is COc1ccc(CNc2cncc3ncsc23)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine?
The InChIKey is YFVUPGKWGFVDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-18-11-4-2-10(3-5-11)6-16-12-7-15-8-13-14(12)19-9-17-13/h2-5,7-9,16H,6H2,1H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine?
N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine has a molecular weight of 271.35 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-[1,3]thiazolo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 69188396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).