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

C14H26N4S — CID 62425655

IUPAC2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CNC(C)C)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4S/c1-12(2)16-10-13(3)11-17-5-7-18(8-6-17)14-15-4-9-19-14/h4,9,12-13,16H,5-8,10-11H2,1-3H3
InChIKeySXOWBIUPBCIYEM-UHFFFAOYSA-N
MW282.46 g/mol
LogP1.90
Rot. Bonds6

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

2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (PubChem CID 62425655) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
PubChem CID62425655
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
SMILESCC(CNC(C)C)CN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H26N4S/c1-12(2)16-10-13(3)11-17-5-7-18(8-6-17)14-15-4-9-19-14/h4,9,12-13,16H,5-8,10-11H2,1-3H3
InChIKeySXOWBIUPBCIYEM-UHFFFAOYSA-N
XLogP1.90
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-2-ol
CID 60885531
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
N-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]methyl]propan-2-amine
CID 62592830
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 62439650
1-(4-methylphenyl)-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanamine
CID 106313009
2-[4-(2-bromoethyl)piperazin-1-yl]-1,3-thiazole
CID 61288747
2-ethoxy-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propanoic acid
CID 63067892
2-[4-(3-chloropropyl)piperazin-1-yl]-1,3-thiazole
CID 15743929
N-[2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]butan-1-amine
CID 62558685
2-[4-[(2-methylpiperidin-2-yl)methyl]piperazin-1-yl]-1,3-thiazole
CID 104594689
3,3,3-trifluoro-2-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]propanoic acid
CID 80996624

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine (CID 62425655) is 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is CC(CNC(C)C)CN1CCN(c2nccs2)CC1.
What is the InChIKey of 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
The InChIKey is SXOWBIUPBCIYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-12(2)16-10-13(3)11-17-5-7-18(8-6-17)14-15-4-9-19-14/h4,9,12-13,16H,5-8,10-11H2,1-3H3.
What are the key properties of 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine?
2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62425655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).