4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine

C9H10ClN3S2 — CID 83153505

IUPAC4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Cl)cs1)c1nccs1
InChIInChI=1S/C9H10ClN3S2/c1-2-6(8-11-3-4-14-8)12-9-13-7(10)5-15-9/h3-6H,2H2,1H3,(H,12,13)
InChIKeyWEWYVWKIBRRMCL-UHFFFAOYSA-N
MW259.79 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine

4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine (PubChem CID 83153505) has the molecular formula C9H10ClN3S2 and a molecular weight of 259.79 g/mol. Its IUPAC name is 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
PubChem CID83153505
Molecular FormulaC9H10ClN3S2
Molecular Weight259.79 g/mol
Exact Mass259.00
IUPAC Name4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
SMILESCCC(Nc1nc(Cl)cs1)c1nccs1
InChIInChI=1S/C9H10ClN3S2/c1-2-6(8-11-3-4-14-8)12-9-13-7(10)5-15-9/h3-6H,2H2,1H3,(H,12,13)
InChIKeyWEWYVWKIBRRMCL-UHFFFAOYSA-N
XLogP3.82
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.79
LogP ≤ 53.82
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
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
CID 66279886
5-bromo-2-chloro-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 79072717
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
5,6-dimethyl-N-[(1R)-1-(1,3-thiazol-2-yl)propyl]pyrimidin-4-amine
CID 97196496
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399
6-N,5-dimethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80845214
2-N-(4-chloro-1,3-thiazol-2-yl)propane-1,2-diamine
CID 83156525
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514
2-[1-(1,3-thiazol-2-yl)propylamino]pyrimidine-4-carbonitrile
CID 107544637
N-[1-(1,3-thiazol-2-yl)propyl]quinazolin-2-amine
CID 114789128
2-chloro-6-ethyl-N-[1-(1,3-thiazol-2-yl)propyl]thieno[2,3-d]pyrimidin-4-amine
CID 103321841

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine (CID 83153505) is 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine is CCC(Nc1nc(Cl)cs1)c1nccs1.
What is the InChIKey of 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine?
The InChIKey is WEWYVWKIBRRMCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN3S2/c1-2-6(8-11-3-4-14-8)12-9-13-7(10)5-15-9/h3-6H,2H2,1H3,(H,12,13).
What are the key properties of 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine?
4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine has a molecular weight of 259.79 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 83153505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).