5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine

C14H21N3S2 — CID 79494190

IUPAC5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(C)Cc2cccs2)sc1CN
InChIInChI=1S/C14H21N3S2/c1-4-12-13(9-15)19-14(16-12)17(3)10(2)8-11-6-5-7-18-11/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyZYKXMLLEPGVGSR-UHFFFAOYSA-N
MW295.48 g/mol
LogP3.29
Rot. Bonds6

About 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine

5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine (PubChem CID 79494190) has the molecular formula C14H21N3S2 and a molecular weight of 295.48 g/mol. Its IUPAC name is 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
PubChem CID79494190
Molecular FormulaC14H21N3S2
Molecular Weight295.48 g/mol
Exact Mass295.12
IUPAC Name5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
SMILESCCc1nc(N(C)C(C)Cc2cccs2)sc1CN
InChIInChI=1S/C14H21N3S2/c1-4-12-13(9-15)19-14(16-12)17(3)10(2)8-11-6-5-7-18-11/h5-7,10H,4,8-9,15H2,1-3H3
InChIKeyZYKXMLLEPGVGSR-UHFFFAOYSA-N
XLogP3.29
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.48
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-4-ethyl-N-[1-(2-fluorophenyl)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 62985824
4-ethyl-N-methyl-5-[(propan-2-ylamino)methyl]-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62766762
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79470909
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697870
methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80570582
N'-methyl-2-methylidene-N'-(1-thiophen-2-ylpropan-2-yl)propane-1,3-diamine
CID 103070954
N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)pentane-1,5-diamine
CID 79476552
2-N,4-N,4-N-trimethyl-2-N-(1-thiophen-2-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 80849728
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79494106
5-(aminomethyl)-N-butan-2-yl-N-methyl-4-propyl-1,3-thiazol-2-amine
CID 62767782
5-chloro-6-[[methyl(1-thiophen-2-ylpropan-2-yl)amino]methyl]pyridin-2-amine
CID 79486505
4-ethyl-5-(ethylaminomethyl)-N-methyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
CID 62769365

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine (CID 79494190) is 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine is CCc1nc(N(C)C(C)Cc2cccs2)sc1CN.
What is the InChIKey of 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
The InChIKey is ZYKXMLLEPGVGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S2/c1-4-12-13(9-15)19-14(16-12)17(3)10(2)8-11-6-5-7-18-11/h5-7,10H,4,8-9,15H2,1-3H3.
What are the key properties of 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine?
5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine has a molecular weight of 295.48 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 79494190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).