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

C16H30N4S — CID 43101627

IUPACN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCc1nc(C(C)NCC(C)(C)N2CCN(C)CC2)c(C)s1
InChIInChI=1S/C16H30N4S/c1-12(15-13(2)21-14(3)18-15)17-11-16(4,5)20-9-7-19(6)8-10-20/h12,17H,7-11H2,1-6H3
InChIKeyLERNCFHWBQFDPK-UHFFFAOYSA-N
MW310.51 g/mol
LogP2.44
Rot. Bonds5

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

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (PubChem CID 43101627) has the molecular formula C16H30N4S and a molecular weight of 310.51 g/mol. Its IUPAC name is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
PubChem CID43101627
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
SMILESCc1nc(C(C)NCC(C)(C)N2CCN(C)CC2)c(C)s1
InChIInChI=1S/C16H30N4S/c1-12(15-13(2)21-14(3)18-15)17-11-16(4,5)20-9-7-19(6)8-10-20/h12,17H,7-11H2,1-6H3
InChIKeyLERNCFHWBQFDPK-UHFFFAOYSA-N
XLogP2.44
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-4-methylpiperazin-1-amine
CID 83009773
3-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethylamino]-2,2-dimethylpropanamide
CID 113354496
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-ethylethanamine
CID 43200501
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 80551072
N-[(1S)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 125176041
N-(cyclopropylmethyl)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethanamine
CID 43200773
2-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]propane-1,2-diamine
CID 103387653
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(1-methylcyclopropyl)methyl]ethanamine
CID 103902867
1-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(2-methylcyclopropyl)methyl]ethanamine
CID 115753105
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine
CID 83118931
N'-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]propane-1,3-diamine
CID 60888751
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 62635360

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The IUPAC name of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine (CID 43101627) is N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is Cc1nc(C(C)NCC(C)(C)N2CCN(C)CC2)c(C)s1.
What is the InChIKey of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
The InChIKey is LERNCFHWBQFDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-12(15-13(2)21-14(3)18-15)17-11-16(4,5)20-9-7-19(6)8-10-20/h12,17H,7-11H2,1-6H3.
What are the key properties of N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine?
N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine has a molecular weight of 310.51 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-2-methyl-2-(4-methylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 43101627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).