N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine

C14H18ClN3O3S — CID 142577212

IUPACN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine
SMILESCOc1ccnc(N(Cc2cnc(Cl)s2)CC(OC)OC)c1
InChIInChI=1S/C14H18ClN3O3S/c1-19-10-4-5-16-12(6-10)18(9-13(20-2)21-3)8-11-7-17-14(15)22-11/h4-7,13H,8-9H2,1-3H3
InChIKeyOIKIZUMCORFYCL-UHFFFAOYSA-N
MW343.84 g/mol
LogP2.83
Rot. Bonds8

About N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine

N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine (PubChem CID 142577212) has the molecular formula C14H18ClN3O3S and a molecular weight of 343.84 g/mol. Its IUPAC name is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine
PubChem CID142577212
Molecular FormulaC14H18ClN3O3S
Molecular Weight343.84 g/mol
Exact Mass343.08
IUPAC NameN-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine
SMILESCOc1ccnc(N(Cc2cnc(Cl)s2)CC(OC)OC)c1
InChIInChI=1S/C14H18ClN3O3S/c1-19-10-4-5-16-12(6-10)18(9-13(20-2)21-3)8-11-7-17-14(15)22-11/h4-7,13H,8-9H2,1-3H3
InChIKeyOIKIZUMCORFYCL-UHFFFAOYSA-N
XLogP2.83
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.84
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine?
The IUPAC name of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine (CID 142577212) is N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine.
What is the SMILES notation for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine?
The canonical SMILES for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine is COc1ccnc(N(Cc2cnc(Cl)s2)CC(OC)OC)c1.
What is the InChIKey of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine?
The InChIKey is OIKIZUMCORFYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O3S/c1-19-10-4-5-16-12(6-10)18(9-13(20-2)21-3)8-11-7-17-14(15)22-11/h4-7,13H,8-9H2,1-3H3.
What are the key properties of N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine?
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine has a molecular weight of 343.84 g/mol, XLogP of 2.83, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-1,3-thiazol-5-yl)methyl]-N-(2,2-dimethoxyethyl)-4-methoxypyridin-2-amine is sourced from PubChem (CID 142577212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).