N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

C15H23N3S2 — CID 62461456

IUPACN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCCNCc1nc(CN(Cc2cccs2)C(C)C)cs1
InChIInChI=1S/C15H23N3S2/c1-4-16-8-15-17-13(11-20-15)9-18(12(2)3)10-14-6-5-7-19-14/h5-7,11-12,16H,4,8-10H2,1-3H3
InChIKeyIRYWYYXPVGSUEK-UHFFFAOYSA-N
MW309.50 g/mol
LogP3.72
Rot. Bonds8

About N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine

N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (PubChem CID 62461456) has the molecular formula C15H23N3S2 and a molecular weight of 309.50 g/mol. Its IUPAC name is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
PubChem CID62461456
Molecular FormulaC15H23N3S2
Molecular Weight309.50 g/mol
Exact Mass309.13
IUPAC NameN-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
SMILESCCNCc1nc(CN(Cc2cccs2)C(C)C)cs1
InChIInChI=1S/C15H23N3S2/c1-4-16-8-15-17-13(11-20-15)9-18(12(2)3)10-14-6-5-7-19-14/h5-7,11-12,16H,4,8-10H2,1-3H3
InChIKeyIRYWYYXPVGSUEK-UHFFFAOYSA-N
XLogP3.72
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.50
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462221
2-methyl-N-[[4-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-1-amine
CID 62422465
N-[[4-[[ethyl(thiophen-2-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62462397
N-[[2-(methylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-propan-2-ylpropan-1-amine
CID 62420119
N-[[5-(ethylaminomethyl)-4-methylfuran-2-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine
CID 62462708
N-ethyl-2-methyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62463231
N-[[4-[[(3-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462709
N-ethyl-2,2-dimethyl-N'-propan-2-yl-N'-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 62258772
N-ethyl-2-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 79245474
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62462365
N-[[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62412254
N-[[4-[[methyl-[(2-methylfuran-3-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]ethanamine
CID 62413591

Frequently Asked Questions

What is the IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine (CID 62461456) is N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is CCNCc1nc(CN(Cc2cccs2)C(C)C)cs1.
What is the InChIKey of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
The InChIKey is IRYWYYXPVGSUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S2/c1-4-16-8-15-17-13(11-20-15)9-18(12(2)3)10-14-6-5-7-19-14/h5-7,11-12,16H,4,8-10H2,1-3H3.
What are the key properties of N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine?
N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine has a molecular weight of 309.50 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(ethylaminomethyl)-1,3-thiazol-4-yl]methyl]-N-(thiophen-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 62461456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).