4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile

C11H10ClN3S2 — CID 106595404

IUPAC4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
SMILESCCC(Nc1nc(Cl)c(C#N)s1)c1cccs1
InChIInChI=1S/C11H10ClN3S2/c1-2-7(8-4-3-5-16-8)14-11-15-10(12)9(6-13)17-11/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyUTUMVNKBQBJUOQ-UHFFFAOYSA-N
MW283.81 g/mol
LogP4.29
Rot. Bonds4

About 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile

4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile (PubChem CID 106595404) has the molecular formula C11H10ClN3S2 and a molecular weight of 283.81 g/mol. Its IUPAC name is 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
PubChem CID106595404
Molecular FormulaC11H10ClN3S2
Molecular Weight283.81 g/mol
Exact Mass283.00
IUPAC Name4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
SMILESCCC(Nc1nc(Cl)c(C#N)s1)c1cccs1
InChIInChI=1S/C11H10ClN3S2/c1-2-7(8-4-3-5-16-8)14-11-15-10(12)9(6-13)17-11/h3-5,7H,2H2,1H3,(H,14,15)
InChIKeyUTUMVNKBQBJUOQ-UHFFFAOYSA-N
XLogP4.29
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.81
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
CID 106595608
6-chloro-N-(1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79525588
4-chloro-2-[[(2R)-4-phenylbutan-2-yl]amino]-1,3-thiazole-5-carbonitrile
CID 7100783
3-(1-thiophen-2-ylpropylamino)pyridazine-4-carbonitrile
CID 80510343
2-[(1-amino-3-methylbutan-2-yl)amino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106596046
3-phenyl-N-(1-thiophen-2-ylpropyl)-1,2,4-thiadiazol-5-amine
CID 133485617
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
2-[1-(4-bromophenyl)ethylamino]-4-chloro-1,3-thiazole-5-carbonitrile
CID 106595398
4-chloro-2-(2-cyanopropylamino)-1,3-thiazole-5-carbonitrile
CID 130662565
2-bromo-4-(1-thiophen-2-ylpropylamino)benzonitrile
CID 107276105
2-nitro-5-(1-thiophen-2-ylpropylamino)benzonitrile
CID 115500249
4-chloro-2-(2-methylbutan-2-ylamino)-1,3-thiazole-5-carbonitrile
CID 106595806

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile (CID 106595404) is 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile is CCC(Nc1nc(Cl)c(C#N)s1)c1cccs1.
What is the InChIKey of 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile?
The InChIKey is UTUMVNKBQBJUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3S2/c1-2-7(8-4-3-5-16-8)14-11-15-10(12)9(6-13)17-11/h3-5,7H,2H2,1H3,(H,14,15).
What are the key properties of 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile?
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile has a molecular weight of 283.81 g/mol, XLogP of 4.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).