4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

C12H17N3S2 — CID 64542947

IUPAC4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCN(Cc1cccs1)c1nc(C(C)N)cs1
InChIInChI=1S/C12H17N3S2/c1-3-15(7-10-5-4-6-16-10)12-14-11(8-17-12)9(2)13/h4-6,8-9H,3,7,13H2,1-2H3
InChIKeyFHGRBULEZHHIJF-UHFFFAOYSA-N
MW267.42 g/mol
LogP3.25
Rot. Bonds5

About 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine

4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 64542947) has the molecular formula C12H17N3S2 and a molecular weight of 267.42 g/mol. Its IUPAC name is 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
PubChem CID64542947
Molecular FormulaC12H17N3S2
Molecular Weight267.42 g/mol
Exact Mass267.09
IUPAC Name4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine
SMILESCCN(Cc1cccs1)c1nc(C(C)N)cs1
InChIInChI=1S/C12H17N3S2/c1-3-15(7-10-5-4-6-16-10)12-14-11(8-17-12)9(2)13/h4-6,8-9H,3,7,13H2,1-2H3
InChIKeyFHGRBULEZHHIJF-UHFFFAOYSA-N
XLogP3.25
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-1,3-thiazole-4-carboxylic acid
CID 80568359
2-(1-aminoethyl)-5-bromo-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 82971660
4-(1-aminoethyl)-N,N-bis(2-methoxyethyl)-1,3-thiazol-2-amine
CID 64542950
4-(2-aminopropyl)-N-ethyl-2-methyl-N-(thiophen-2-ylmethyl)aniline
CID 63815482
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
4-(1-aminoethyl)-N-cyclopropyl-N-ethyl-1,3-thiazol-2-amine
CID 64543335
4-(1-aminoethyl)-N-methyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 64545565
2-N-ethyl-2-N-(thiophen-2-ylmethyl)benzene-1,2-diamine
CID 61437146
6-chloro-N-ethyl-2-propan-2-yl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80953358
4-(2-aminopropyl)-N-ethyl-2,6-difluoro-N-(thiophen-2-ylmethyl)aniline
CID 63815129
4-(2-aminobutyl)-N-ethyl-N-(thiophen-2-ylmethyl)aniline
CID 63815303
N,N-diethyl-4-[1-(ethylamino)ethyl]-1,3-thiazol-2-amine
CID 64542709

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine (CID 64542947) is 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is CCN(Cc1cccs1)c1nc(C(C)N)cs1.
What is the InChIKey of 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is FHGRBULEZHHIJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S2/c1-3-15(7-10-5-4-6-16-10)12-14-11(8-17-12)9(2)13/h4-6,8-9H,3,7,13H2,1-2H3.
What are the key properties of 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine?
4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 267.42 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-N-ethyl-N-(thiophen-2-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 64542947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).