4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole

C10H14ClN3S — CID 83156699

IUPAC4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole
SMILESClc1csc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C10H14ClN3S/c11-9-7-15-10(12-9)14-5-3-13(4-6-14)8-1-2-8/h7-8H,1-6H2
InChIKeyYCJPTPMONPHFFM-UHFFFAOYSA-N
MW243.76 g/mol
LogP2.08
Rot. Bonds2

About 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole

4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole (PubChem CID 83156699) has the molecular formula C10H14ClN3S and a molecular weight of 243.76 g/mol. Its IUPAC name is 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole
PubChem CID83156699
Molecular FormulaC10H14ClN3S
Molecular Weight243.76 g/mol
Exact Mass243.06
IUPAC Name4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole
SMILESClc1csc(N2CCN(C3CC3)CC2)n1
InChIInChI=1S/C10H14ClN3S/c11-9-7-15-10(12-9)14-5-3-13(4-6-14)8-1-2-8/h7-8H,1-6H2
InChIKeyYCJPTPMONPHFFM-UHFFFAOYSA-N
XLogP2.08
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.76
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-4-chloro-1,3-thiazole
CID 83155585
(3S)-1-(4-chloro-1,3-thiazol-2-yl)pyrrolidin-3-ol
CID 104892830
4-chloro-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 83151968
4-chloro-2-(4-propylpiperidin-1-yl)-1,3-thiazole
CID 83155979
4-chloro-2-(4,4-dimethylazepan-1-yl)-1,3-thiazole
CID 83157208
2-[(3aR,7aS)-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-4-chloro-1,3-thiazole
CID 130714926
4-chloro-2-(3,4-dimethylpiperazin-1-yl)-1,3-thiazole
CID 83155623
2-(4-cyclopentylpiperazin-1-yl)-1,3,4-thiadiazole
CID 121184724
1-(4-chloro-1,3-thiazol-2-yl)-3-methylpiperidin-4-amine
CID 83155920
1-[4-(4-chloro-1,3-thiazol-2-yl)-1,4-diazepan-1-yl]ethanone
CID 83155375
1-(4-chloro-1,3-thiazol-2-yl)-N,N-dimethylpiperidin-3-amine
CID 83157211
3-[1-(4-chloro-1,3-thiazol-2-yl)piperidin-4-yl]oxypropanoic acid
CID 83152133

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole?
The IUPAC name of 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole (CID 83156699) is 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole.
What is the SMILES notation for 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole?
The canonical SMILES for 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole is Clc1csc(N2CCN(C3CC3)CC2)n1.
What is the InChIKey of 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole?
The InChIKey is YCJPTPMONPHFFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3S/c11-9-7-15-10(12-9)14-5-3-13(4-6-14)8-1-2-8/h7-8H,1-6H2.
What are the key properties of 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole?
4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole has a molecular weight of 243.76 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-cyclopropylpiperazin-1-yl)-1,3-thiazole is sourced from PubChem (CID 83156699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).