3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile

C11H15N3OS — CID 79376229

IUPAC3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)C2CCCO2)c1C#N
InChIInChI=1S/C11H15N3OS/c1-7-9(6-12)11(16-14-7)13-8(2)10-4-3-5-15-10/h8,10,13H,3-5H2,1-2H3
InChIKeyJYGLKASZVZGEFE-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.30
Rot. Bonds3

About 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile

3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile (PubChem CID 79376229) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile.

Molecular Properties

Compound Name3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile
PubChem CID79376229
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile
SMILESCc1nsc(NC(C)C2CCCO2)c1C#N
InChIInChI=1S/C11H15N3OS/c1-7-9(6-12)11(16-14-7)13-8(2)10-4-3-5-15-10/h8,10,13H,3-5H2,1-2H3
InChIKeyJYGLKASZVZGEFE-UHFFFAOYSA-N
XLogP2.30
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-5-[1-(oxan-4-yl)ethylamino]-1,2-thiazole-4-carbonitrile
CID 114115350
4-methoxy-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103382934
4,5-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-thiazol-2-amine
CID 65169694
4-ethylsulfonyl-5-N-[1-(oxolan-2-yl)ethyl]-1,2-thiazole-3,5-diamine
CID 103364012
3-methyl-5-[1-(5-methylthiophen-2-yl)propan-2-ylamino]-1,2-thiazole-4-carbonitrile
CID 79375802
5-amino-2-[1-(oxolan-2-yl)ethylamino]pyridine-3-carbonitrile
CID 54860605
N-[1-(oxolan-2-yl)ethyl]-4,5-dihydro-1H-imidazol-2-amine
CID 115601307
5-[(3,4-dimethylcyclohexyl)amino]-3-methyl-1,2-thiazole-4-carbonitrile
CID 79375227
5-bromo-3-methyl-N-[1-(oxolan-2-yl)ethyl]pyridin-2-amine
CID 79717768
3-methyl-5-(1-thiophen-3-ylethylamino)-1,2-thiazole-4-carbonitrile
CID 79376328
N-(4-cyano-3-methyl-1,2-thiazol-5-yl)formamide
CID 138481254
N-[1-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 130840823

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The IUPAC name of 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile (CID 79376229) is 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile.
What is the SMILES notation for 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The canonical SMILES for 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile is Cc1nsc(NC(C)C2CCCO2)c1C#N.
What is the InChIKey of 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
The InChIKey is JYGLKASZVZGEFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-7-9(6-12)11(16-14-7)13-8(2)10-4-3-5-15-10/h8,10,13H,3-5H2,1-2H3.
What are the key properties of 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile?
3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile has a molecular weight of 237.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(oxolan-2-yl)ethylamino]-1,2-thiazole-4-carbonitrile is sourced from PubChem (CID 79376229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).