O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine

C11H13N3OS — CID 143129382

IUPACO-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
SMILESCc1nc(-c2cccnc2)sc1CCON
InChIInChI=1S/C11H13N3OS/c1-8-10(4-6-15-12)16-11(14-8)9-3-2-5-13-7-9/h2-3,5,7H,4,6,12H2,1H3
InChIKeyUSOPEWQZYHKYCL-UHFFFAOYSA-N
MW235.31 g/mol
LogP1.95
Rot. Bonds4

About O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine

O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine (PubChem CID 143129382) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine.

Molecular Properties

Compound NameO-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
PubChem CID143129382
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameO-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
SMILESCc1nc(-c2cccnc2)sc1CCON
InChIInChI=1S/C11H13N3OS/c1-8-10(4-6-15-12)16-11(14-8)9-3-2-5-13-7-9/h2-3,5,7H,4,6,12H2,1H3
InChIKeyUSOPEWQZYHKYCL-UHFFFAOYSA-N
XLogP1.95
TPSA61.03 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 ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 23467885
1-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)propan-2-one
CID 82289672
N-[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)methyl]cyclopropanamine
CID 62404435
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]benzenesulfonamide
CID 7207713
1-(4-methylphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]methanesulfonamide
CID 110395291
1,1-diethyl-3-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]urea
CID 110395265
2-(4-methoxyphenyl)-N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110395233
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
4-methyl-2-pyridin-3-yl-5-(pyrrolidin-2-ylmethyl)-1,3-thiazole
CID 116885169
[4-(2-methylpropyl)-2-pyridin-3-yl-1,3-thiazol-5-yl]methanamine
CID 114362218
N-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]adamantane-1-carboxamide
CID 110395267
N-methyl-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-N-phenylacetamide
CID 110329097

Frequently Asked Questions

What is the IUPAC name of O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine?
The IUPAC name of O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine (CID 143129382) is O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine.
What is the SMILES notation for O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine?
The canonical SMILES for O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine is Cc1nc(-c2cccnc2)sc1CCON.
What is the InChIKey of O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine?
The InChIKey is USOPEWQZYHKYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8-10(4-6-15-12)16-11(14-8)9-3-2-5-13-7-9/h2-3,5,7H,4,6,12H2,1H3.
What are the key properties of O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine?
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine has a molecular weight of 235.31 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine is sourced from PubChem (CID 143129382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).