2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

C15H29N5S — CID 62889258

IUPAC2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCCCc1nc(N2CCN(CCN(C)C)CC2)sc1CN
InChIInChI=1S/C15H29N5S/c1-4-5-13-14(12-16)21-15(17-13)20-10-8-19(9-11-20)7-6-18(2)3/h4-12,16H2,1-3H3
InChIKeyOZCAWPNULHOQED-UHFFFAOYSA-N
MW311.50 g/mol
LogP1.24
Rot. Bonds7

About 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine

2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (PubChem CID 62889258) has the molecular formula C15H29N5S and a molecular weight of 311.50 g/mol. Its IUPAC name is 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
PubChem CID62889258
Molecular FormulaC15H29N5S
Molecular Weight311.50 g/mol
Exact Mass311.21
IUPAC Name2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
SMILESCCCc1nc(N2CCN(CCN(C)C)CC2)sc1CN
InChIInChI=1S/C15H29N5S/c1-4-5-13-14(12-16)21-15(17-13)20-10-8-19(9-11-20)7-6-18(2)3/h4-12,16H2,1-3H3
InChIKeyOZCAWPNULHOQED-UHFFFAOYSA-N
XLogP1.24
TPSA48.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(4-methyl-1,4-diazepan-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62766388
[2-(4-methylsulfonylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 63002607
[2-(3-ethyl-4-methylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55215656
[2-(4-tert-butylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 62767664
[4-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]-1,3-thiazol-5-yl]methanamine
CID 62777571
[2-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-4-propan-2-yl-1,3-thiazol-5-yl]methanol
CID 79396952
N'-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 55225632
[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 104961227
N-[[2-(4-ethylpiperazin-1-yl)-4-propyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 62764109
[2-(2-ethylmorpholin-4-yl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 55117413
2-[4-[6-(aminomethyl)pyrazin-2-yl]piperazin-1-yl]-N,N-dimethylethanamine
CID 66451472
[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-4-propyl-1,3-thiazol-5-yl]methanamine
CID 102728727

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine (CID 62889258) is 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is CCCc1nc(N2CCN(CCN(C)C)CC2)sc1CN.
What is the InChIKey of 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
The InChIKey is OZCAWPNULHOQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5S/c1-4-5-13-14(12-16)21-15(17-13)20-10-8-19(9-11-20)7-6-18(2)3/h4-12,16H2,1-3H3.
What are the key properties of 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine?
2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine has a molecular weight of 311.50 g/mol, XLogP of 1.24, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(aminomethyl)-4-propyl-1,3-thiazol-2-yl]piperazin-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 62889258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).