N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

C11H13N3OS — CID 62941456

IUPACN-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccncc2)cs1
InChIInChI=1S/C11H13N3OS/c1-15-7-6-13-11-14-10(8-16-11)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyUXIPNERSEZVMNB-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.26
Rot. Bonds5

About N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine

N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (PubChem CID 62941456) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
PubChem CID62941456
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine
SMILESCOCCNc1nc(-c2ccncc2)cs1
InChIInChI=1S/C11H13N3OS/c1-15-7-6-13-11-14-10(8-16-11)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14)
InChIKeyUXIPNERSEZVMNB-UHFFFAOYSA-N
XLogP2.26
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(3-bromo-4-methoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962099
N-(2-methoxyethyl)-4-naphthalen-1-yl-1,3-thiazol-2-amine
CID 8962162
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]phenyl]-3-methylbutanamide
CID 8962073
4-(2,4-dimethylphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962177
4-(4-methoxyphenyl)-N-propyl-1,3-thiazol-2-amine
CID 8962689
4-(2,5-dimethylthiophen-3-yl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 9420703
4-(2,4-dimethoxyphenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 8962184
2-N-(2-methoxyethyl)-6-pyridin-4-ylpyridine-2,3-diamine
CID 20550365
4-(4-bromo-2-fluorophenyl)-N-(2-methoxyethyl)-1,3-thiazol-2-amine
CID 82963455
N-[4-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-2-methylsulfanylphenyl]acetamide
CID 47061837
N-(2-methoxyethyl)-2-[4-(2-pyridin-4-yl-1,3-thiazol-4-yl)phenyl]acetamide
CID 93191640
5-[2-(2-methoxyethylamino)-1,3-thiazol-4-yl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 82427826

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine (CID 62941456) is N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is COCCNc1nc(-c2ccncc2)cs1.
What is the InChIKey of N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
The InChIKey is UXIPNERSEZVMNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-15-7-6-13-11-14-10(8-16-11)9-2-4-12-5-3-9/h2-5,8H,6-7H2,1H3,(H,13,14).
What are the key properties of N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine?
N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-pyridin-4-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62941456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).