4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine

C14H26N4S — CID 122556918

IUPAC4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCC(C)N2CCN(C)CC2)sc1C
InChIInChI=1S/C14H26N4S/c1-11(18-9-7-17(4)8-10-18)5-6-15-14-16-12(2)13(3)19-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOLIBTBIRHLGBFY-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.20
Rot. Bonds5

About 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine

4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine (PubChem CID 122556918) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
PubChem CID122556918
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC Name4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine
SMILESCc1nc(NCCC(C)N2CCN(C)CC2)sc1C
InChIInChI=1S/C14H26N4S/c1-11(18-9-7-17(4)8-10-18)5-6-15-14-16-12(2)13(3)19-14/h11H,5-10H2,1-4H3,(H,15,16)
InChIKeyOLIBTBIRHLGBFY-UHFFFAOYSA-N
XLogP2.20
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(Dimethyl-1,3-thiazol-2-yl)piperazine
CID 19915765
2-[2-(4,5-Dimethyl-1,3-thiazol-2-yl)ethyl]-1,3-diethylguanidine
CID 86779365
1-[(2S,4S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-fluoropyrrolidin-2-yl]-N-methylmethanamine
CID 137955827
1-(4-Methyl-5-trifluoromethyl-thiazol-2-yl)-piperazine hydrochloride
CID 21100177
4-Methyl-2-piperazin-1-yl-5-(trifluoromethyl)-1,3-thiazole
CID 21100178
1-(5-Methyl-4-trifluoromethyl-thiazol-2-yl)-piperazine
CID 21100189
4-(4,5-dimethyl-1,3-thiazol-2-yl)-N-(3-fluoropiperidin-4-yl)piperazine-1-carboxamide
CID 169695128
1-(4,5-Dimethyl-1,3-thiazol-2-yl)-3-ethylthiourea
CID 13878932
N-Cyclohexyl-4,5-dimethyl-2-thiazolamine
CID 1218052
5-(ethylaminomethyl)-4-methyl-N-propan-2-yl-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117891
N-ethyl-4-methyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 55117893
N,4-dimethyl-5-[(propan-2-ylamino)methyl]-N-(2,2,2-trifluoroethyl)-1,3-thiazol-2-amine
CID 62767658

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine?
The IUPAC name of 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine (CID 122556918) is 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine is Cc1nc(NCCC(C)N2CCN(C)CC2)sc1C.
What is the InChIKey of 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine?
The InChIKey is OLIBTBIRHLGBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-11(18-9-7-17(4)8-10-18)5-6-15-14-16-12(2)13(3)19-14/h11H,5-10H2,1-4H3,(H,15,16).
What are the key properties of 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine?
4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(4-methylpiperazin-1-yl)butyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 122556918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).