2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride

C14H25Cl2N3OS — CID 119433713

IUPAC2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1sc(C2CCCC2)nc1C.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-10-12(13(18)16-9-5-8-15-2)19-14(17-10)11-6-3-4-7-11;;/h11,15H,3-9H2,1-2H3,(H,16,18);2*1H
InChIKeyDLSIOZHOAIMBOP-UHFFFAOYSA-N
MW354.35 g/mol
LogP3.29
Rot. Bonds6

About 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride

2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride (PubChem CID 119433713) has the molecular formula C14H25Cl2N3OS and a molecular weight of 354.35 g/mol. Its IUPAC name is 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
PubChem CID119433713
Molecular FormulaC14H25Cl2N3OS
Molecular Weight354.35 g/mol
Exact Mass353.11
IUPAC Name2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride
SMILESCNCCCNC(=O)c1sc(C2CCCC2)nc1C.Cl.Cl
InChIInChI=1S/C14H23N3OS.2ClH/c1-10-12(13(18)16-9-5-8-15-2)19-14(17-10)11-6-3-4-7-11;;/h11,15H,3-9H2,1-2H3,(H,16,18);2*1H
InChIKeyDLSIOZHOAIMBOP-UHFFFAOYSA-N
XLogP3.29
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The IUPAC name of 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride (CID 119433713) is 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride.
What is the SMILES notation for 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The canonical SMILES for 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride is CNCCCNC(=O)c1sc(C2CCCC2)nc1C.Cl.Cl.
What is the InChIKey of 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
The InChIKey is DLSIOZHOAIMBOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS.2ClH/c1-10-12(13(18)16-9-5-8-15-2)19-14(17-10)11-6-3-4-7-11;;/h11,15H,3-9H2,1-2H3,(H,16,18);2*1H.
What are the key properties of 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride?
2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride has a molecular weight of 354.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-methyl-N-[3-(methylamino)propyl]-1,3-thiazole-5-carboxamide;dihydrochloride is sourced from PubChem (CID 119433713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).