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

C16H30N4S — CID 104841600

IUPACN-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CC2CN(C)CCN2C)sc1CNC(C)C
InChIInChI=1S/C16H30N4S/c1-6-14-15(10-17-12(2)3)21-16(18-14)9-13-11-19(4)7-8-20(13)5/h12-13,17H,6-11H2,1-5H3
InChIKeyYEUDMBJFIZZRMZ-UHFFFAOYSA-N
MW310.51 g/mol
LogP1.99
Rot. Bonds6

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

N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 104841600) 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)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID104841600
Molecular FormulaC16H30N4S
Molecular Weight310.51 g/mol
Exact Mass310.22
IUPAC NameN-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1nc(CC2CN(C)CCN2C)sc1CNC(C)C
InChIInChI=1S/C16H30N4S/c1-6-14-15(10-17-12(2)3)21-16(18-14)9-13-11-19(4)7-8-20(13)5/h12-13,17H,6-11H2,1-5H3
InChIKeyYEUDMBJFIZZRMZ-UHFFFAOYSA-N
XLogP1.99
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362262
N-[[4-ethyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82430524
4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
4-ethyl-N-methyl-N-(1-methylpiperidin-3-yl)-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768706
N-[[4-ethyl-2-(propan-2-ylsulfanylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82429278
N-[[2-(cyclohexylsulfanylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841683
N-[[2-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 115562442
N-[[2-(1,4-dimethylpiperazin-2-yl)-4-ethyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 104842031
N-[[4-ethyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82430785
N-[[4-ethyl-2-(2-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764650
N-[[2-(cyclopropylmethyl)-4-ethyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 104841273
N-[(4-ethyl-2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 62765156

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 104841600) is N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1nc(CC2CN(C)CCN2C)sc1CNC(C)C.
What is the InChIKey of N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is YEUDMBJFIZZRMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4S/c1-6-14-15(10-17-12(2)3)21-16(18-14)9-13-11-19(4)7-8-20(13)5/h12-13,17H,6-11H2,1-5H3.
What are the key properties of N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-[(1,4-dimethylpiperazin-2-yl)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 1.99, 6 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)methyl]-4-ethyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 104841600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).