2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine

C15H28N4S — CID 62263028

IUPAC2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCCCNCC(C)(C)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H28N4S/c1-4-5-16-12-15(2,3)13-18-7-9-19(10-8-18)14-17-6-11-20-14/h6,11,16H,4-5,7-10,12-13H2,1-3H3
InChIKeySQAMIBONJKUGEW-UHFFFAOYSA-N
MW296.48 g/mol
LogP2.29
Rot. Bonds7

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

2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 62263028) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID62263028
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC Name2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCCCNCC(C)(C)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C15H28N4S/c1-4-5-16-12-15(2,3)13-18-7-9-19(10-8-18)14-17-6-11-20-14/h6,11,16H,4-5,7-10,12-13H2,1-3H3
InChIKeySQAMIBONJKUGEW-UHFFFAOYSA-N
XLogP2.29
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-methyl-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]butan-1-amine
CID 62263594
2,2,2-trifluoro-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]ethanamine
CID 62573229
2-methyl-N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]butan-2-amine
CID 62573951
2,2-dimethyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 62270105
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-[4-(2-methylbut-3-yn-2-yl)piperazin-1-yl]-1,3-thiazole
CID 136573614
N-tert-butyl-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 51194247
N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
CID 62558685
3-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,2-dimethyl-N-propylpropan-1-amine
CID 64579635
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (CID 62263028) is 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is CCCNCC(C)(C)CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is SQAMIBONJKUGEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-4-5-16-12-15(2,3)13-18-7-9-19(10-8-18)14-17-6-11-20-14/h6,11,16H,4-5,7-10,12-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62263028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).