3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate

C13H11N3O2S — CID 118023882

IUPAC3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate
SMILESCc1nc(-c2cccnc2)sc1C#CCOC(N)=O
InChIInChI=1S/C13H11N3O2S/c1-9-11(5-3-7-18-13(14)17)19-12(16-9)10-4-2-6-15-8-10/h2,4,6,8H,7H2,1H3,(H2,14,17)
InChIKeyBPDSZIUPHRKFPJ-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.96
Rot. Bonds2

About 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate

3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate (PubChem CID 118023882) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate.

Molecular Properties

Compound Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate
PubChem CID118023882
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate
SMILESCc1nc(-c2cccnc2)sc1C#CCOC(N)=O
InChIInChI=1S/C13H11N3O2S/c1-9-11(5-3-7-18-13(14)17)19-12(16-9)10-4-2-6-15-8-10/h2,4,6,8H,7H2,1H3,(H2,14,17)
InChIKeyBPDSZIUPHRKFPJ-UHFFFAOYSA-N
XLogP1.96
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_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
O-[2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 143129382
4-methyl-N-[(2S)-pentan-2-yl]-2-pyridin-3-yl-1,3-thiazole-5-carboxamide
CID 27261975
N,4-dimethyl-2-pyridin-3-yl-1,3-thiazol-5-amine
CID 59580850
tert-butyl N-ethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)carbamate
CID 59580635
4-methyl-2-[(4-methyl-2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]pentanoic acid
CID 82032654
N,2,2-trimethyl-N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfanylpropanamide
CID 59580620
[(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-(2-methyl-3-sulfanylpropanoyl)amino]methyl butanoate
CID 148952883
4-methyl-2-pyridin-3-yl-N-(1-pyrimidin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 58236230
N-(4-methylphenyl)-2-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)acetamide
CID 110329096
N-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)-3-methylsulfonylpropanamide
CID 59580935

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate?
The IUPAC name of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate (CID 118023882) is 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate.
What is the SMILES notation for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate?
The canonical SMILES for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate is Cc1nc(-c2cccnc2)sc1C#CCOC(N)=O.
What is the InChIKey of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate?
The InChIKey is BPDSZIUPHRKFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-9-11(5-3-7-18-13(14)17)19-12(16-9)10-4-2-6-15-8-10/h2,4,6,8H,7H2,1H3,(H2,14,17).
What are the key properties of 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate?
3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate has a molecular weight of 273.32 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-pyridin-3-yl-1,3-thiazol-5-yl)prop-2-ynyl carbamate is sourced from PubChem (CID 118023882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).