N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

C16H30N4S — CID 104842031

IUPACN-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(C2CN(C)CCN2C)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N4S/c1-7-12-14(10-17-16(2,3)4)21-15(18-12)13-11-19(5)8-9-20(13)6/h13,17H,7-11H2,1-6H3
InChIKeyMZDSYOZQIFXNRE-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.51
Rot. Bonds4

About N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine

N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (PubChem CID 104842031) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
PubChem CID104842031
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
SMILESCCc1nc(C2CN(C)CCN2C)sc1CNC(C)(C)C
InChIInChI=1S/C16H30N4S/c1-7-12-14(10-17-16(2,3)4)21-15(18-12)13-11-19(5)8-9-20(13)6/h13,17H,7-11H2,1-6H3
InChIKeyMZDSYOZQIFXNRE-UHFFFAOYSA-N
XLogP2.51
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methanamine
CID 104840997
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364492
N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841600
N-[[4-ethyl-2-(4-ethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763950
N-[[2-(2,2-dimethylpropyl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104841999
N-[(4-ethyl-2-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 104841978
N-[(2-cyclobutyl-4-propyl-1,3-thiazol-5-yl)methyl]-2-methylpropan-2-amine
CID 114364609
[2-(1,4-dimethyl-1,4-diazepan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362005
N-[[4-ethyl-2-(4-methylmorpholin-2-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841266
5-[(tert-butylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 62765856
N-[[4-ethyl-2-(2-methoxyethyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 113459711
5-[(tert-butylamino)methyl]-N-(cyclopentylmethyl)-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 63656947

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine (CID 104842031) is N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is CCc1nc(C2CN(C)CCN2C)sc1CNC(C)(C)C.
What is the InChIKey of N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is MZDSYOZQIFXNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-7-12-14(10-17-16(2,3)4)21-15(18-12)13-11-19(5)8-9-20(13)6/h13,17H,7-11H2,1-6H3.
What are the key properties of N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine?
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 104842031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).