5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

C15H21Cl2N3S — CID 120901925

IUPAC5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCC(CC)(NCc1cnc(N)s1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3S.ClH/c1-3-15(4-2,11-5-7-12(16)8-6-11)19-10-13-9-18-14(17)20-13;/h5-9,19H,3-4,10H2,1-2H3,(H2,17,18);1H
InChIKeyZCWJTAGPKTXTHC-UHFFFAOYSA-N
MW346.33 g/mol
LogP4.61
Rot. Bonds6

About 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride

5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 120901925) has the molecular formula C15H21Cl2N3S and a molecular weight of 346.33 g/mol. Its IUPAC name is 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID120901925
Molecular FormulaC15H21Cl2N3S
Molecular Weight346.33 g/mol
Exact Mass345.08
IUPAC Name5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride
SMILESCCC(CC)(NCc1cnc(N)s1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H20ClN3S.ClH/c1-3-15(4-2,11-5-7-12(16)8-6-11)19-10-13-9-18-14(17)20-13;/h5-9,19H,3-4,10H2,1-2H3,(H2,17,18);1H
InChIKeyZCWJTAGPKTXTHC-UHFFFAOYSA-N
XLogP4.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.33
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride (CID 120901925) is 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is CCC(CC)(NCc1cnc(N)s1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is ZCWJTAGPKTXTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3S.ClH/c1-3-15(4-2,11-5-7-12(16)8-6-11)19-10-13-9-18-14(17)20-13;/h5-9,19H,3-4,10H2,1-2H3,(H2,17,18);1H.
What are the key properties of 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride?
5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 346.33 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-chlorophenyl)pentan-3-ylamino]methyl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 120901925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).