2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile

C18H18N4S2 — CID 157249192

IUPAC2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nc(C3CC3)cs2)CC1.N#CCc1nc(C2CC2)cs1
InChIInChI=1S/C10H10N2S.C8H8N2S/c11-6-10(3-4-10)9-12-8(5-13-9)7-1-2-7;9-4-3-8-10-7(5-11-8)6-1-2-6/h5,7H,1-4H2;5-6H,1-3H2
InChIKeyAWDHLHUUWXQIHT-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.66
Rot. Bonds4

About 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile

2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile (PubChem CID 157249192) has the molecular formula C18H18N4S2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
PubChem CID157249192
Molecular FormulaC18H18N4S2
Molecular Weight354.50 g/mol
Exact Mass354.10
IUPAC Name2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
SMILESN#CC1(c2nc(C3CC3)cs2)CC1.N#CCc1nc(C2CC2)cs1
InChIInChI=1S/C10H10N2S.C8H8N2S/c11-6-10(3-4-10)9-12-8(5-13-9)7-1-2-7;9-4-3-8-10-7(5-11-8)6-1-2-6/h5,7H,1-4H2;5-6H,1-3H2
InChIKeyAWDHLHUUWXQIHT-UHFFFAOYSA-N
XLogP4.66
TPSA73.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-cyclopentyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 116865298
2-(4-cyclobutyl-1,3-thiazol-2-yl)acetonitrile
CID 116966310
1-(4-cyclopentyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
CID 116865569
1-(4-cyclobutyl-1,3-thiazol-2-yl)cyclobutane-1-carbonitrile
CID 116865576
2-(1-cyanocyclopropyl)-1,3-thiazole-4-carboxylic acid
CID 82838971
4-cyclopropyl-2-(1-methoxy-4,4-dimethylcyclohexyl)-1,3-thiazole
CID 116782731
4-cyclopropyl-1,3-thiazole-2-carbonitrile
CID 71748573
1-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]cyclopropane-1-carbonitrile
CID 166314569
4-[4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-yl]butanenitrile
CID 116968995
1-(1,3-thiazol-2-yl)cyclopropane-1-carbonitrile
CID 82184336
2-(bromomethyl)-4-cyclopentyl-1,3-thiazole
CID 116970375
2-(azetidin-3-ylmethyl)-4-cyclopropyl-1,3-thiazole
CID 105448612

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
The IUPAC name of 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile (CID 157249192) is 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile.
What is the SMILES notation for 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
The canonical SMILES for 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile is N#CC1(c2nc(C3CC3)cs2)CC1.N#CCc1nc(C2CC2)cs1.
What is the InChIKey of 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
The InChIKey is AWDHLHUUWXQIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S.C8H8N2S/c11-6-10(3-4-10)9-12-8(5-13-9)7-1-2-7;9-4-3-8-10-7(5-11-8)6-1-2-6/h5,7H,1-4H2;5-6H,1-3H2.
What are the key properties of 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile?
2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile has a molecular weight of 354.50 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-1,3-thiazol-2-yl)acetonitrile;1-(4-cyclopropyl-1,3-thiazol-2-yl)cyclopropane-1-carbonitrile is sourced from PubChem (CID 157249192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).