4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile

C10H9ClN4S2 — CID 106595608

IUPAC4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
SMILESCCC(Nc1nc(Cl)c(C#N)s1)c1nccs1
InChIInChI=1S/C10H9ClN4S2/c1-2-6(9-13-3-4-16-9)14-10-15-8(11)7(5-12)17-10/h3-4,6H,2H2,1H3,(H,14,15)
InChIKeyGBXOJAMXXQJRFK-UHFFFAOYSA-N
MW284.80 g/mol
LogP3.69
Rot. Bonds4

About 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile

4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile (PubChem CID 106595608) has the molecular formula C10H9ClN4S2 and a molecular weight of 284.80 g/mol. Its IUPAC name is 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile.

Molecular Properties

Compound Name4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
PubChem CID106595608
Molecular FormulaC10H9ClN4S2
Molecular Weight284.80 g/mol
Exact Mass284.00
IUPAC Name4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
SMILESCCC(Nc1nc(Cl)c(C#N)s1)c1nccs1
InChIInChI=1S/C10H9ClN4S2/c1-2-6(9-13-3-4-16-9)14-10-15-8(11)7(5-12)17-10/h3-4,6H,2H2,1H3,(H,14,15)
InChIKeyGBXOJAMXXQJRFK-UHFFFAOYSA-N
XLogP3.69
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.80
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-2-[1-(1,3-thiazol-2-yl)ethylamino]-1,3-thiazole-5-carbonitrile
CID 106595609
4-chloro-2-(1-thiophen-2-ylpropylamino)-1,3-thiazole-5-carbonitrile
CID 106595404
2-(butan-2-ylamino)-4-chloro-1,3-thiazole-5-carbonitrile
CID 106594979
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
4-chloro-2-(1-pyridin-4-ylethylamino)-1,3-thiazole-5-carbonitrile
CID 106595169
3-[1-(1,3-thiazol-2-yl)propylamino]pyridazine-4-carbonitrile
CID 80509803
4-chloro-2-(ethylamino)-1,3-thiazole-5-carbonitrile
CID 106595002
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79072717
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile?
The IUPAC name of 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile (CID 106595608) is 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile.
What is the SMILES notation for 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile?
The canonical SMILES for 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile is CCC(Nc1nc(Cl)c(C#N)s1)c1nccs1.
What is the InChIKey of 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile?
The InChIKey is GBXOJAMXXQJRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4S2/c1-2-6(9-13-3-4-16-9)14-10-15-8(11)7(5-12)17-10/h3-4,6H,2H2,1H3,(H,14,15).
What are the key properties of 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile?
4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile has a molecular weight of 284.80 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile is sourced from PubChem (CID 106595608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).