4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine

C11H13N3OS — CID 115777095

IUPAC4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
SMILESCOc1ccnc(NCc2nc(C)cs2)c1
InChIInChI=1S/C11H13N3OS/c1-8-7-16-11(14-8)6-13-10-5-9(15-2)3-4-12-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyBCWRDHWGBVTCQP-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.47
Rot. Bonds4

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

4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine (PubChem CID 115777095) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
PubChem CID115777095
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC Name4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine
SMILESCOc1ccnc(NCc2nc(C)cs2)c1
InChIInChI=1S/C11H13N3OS/c1-8-7-16-11(14-8)6-13-10-5-9(15-2)3-4-12-10/h3-5,7H,6H2,1-2H3,(H,12,13)
InChIKeyBCWRDHWGBVTCQP-UHFFFAOYSA-N
XLogP2.47
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine (CID 115777095) is 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine is COc1ccnc(NCc2nc(C)cs2)c1.
What is the InChIKey of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
The InChIKey is BCWRDHWGBVTCQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-7-16-11(14-8)6-13-10-5-9(15-2)3-4-12-10/h3-5,7H,6H2,1-2H3,(H,12,13).
What are the key properties of 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine?
4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 115777095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).