N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

C16H22N2S2 — CID 115726912

IUPACN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2cc3c(s2)CCCC3)s1
InChIInChI=1S/C16H22N2S2/c1-10-9-17-16(19-10)12(3)18-11(2)15-8-13-6-4-5-7-14(13)20-15/h8-9,11-12,18H,4-7H2,1-3H3
InChIKeyYKMIQQMCYBVPDJ-UHFFFAOYSA-N
MW306.50 g/mol
LogP4.80
Rot. Bonds4

About N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine

N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (PubChem CID 115726912) has the molecular formula C16H22N2S2 and a molecular weight of 306.50 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
PubChem CID115726912
Molecular FormulaC16H22N2S2
Molecular Weight306.50 g/mol
Exact Mass306.12
IUPAC NameN-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
SMILESCc1cnc(C(C)NC(C)c2cc3c(s2)CCCC3)s1
InChIInChI=1S/C16H22N2S2/c1-10-9-17-16(19-10)12(3)18-11(2)15-8-13-6-4-5-7-14(13)20-15/h8-9,11-12,18H,4-7H2,1-3H3
InChIKeyYKMIQQMCYBVPDJ-UHFFFAOYSA-N
XLogP4.80
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine
CID 106388022
N-[(1R)-1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(2-propan-2-yl-1,3-thiazol-5-yl)ethanamine
CID 170759450
N-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)ethyl]propan-1-amine
CID 115780103
1-methoxy-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-2-amine
CID 81301050
1-N,1-N-dimethyl-2-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propane-1,2-diamine
CID 82945568
N-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethyl]-1-methylsulfanylpropan-2-amine
CID 115721776
2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]ethanol
CID 81302192
(2R)-2-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 103922417
N-(2,3-dihydro-1H-inden-5-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)ethanamine
CID 112696993
(2R)-2-[1-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)ethylamino]butan-1-ol
CID 103922540
3,3,3-trifluoro-N-[1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethyl]propan-1-amine
CID 81344023
2-propan-2-yl-5,6-dihydro-4H-cyclopenta[b]thiophene
CID 20542326

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine (CID 115726912) is N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is Cc1cnc(C(C)NC(C)c2cc3c(s2)CCCC3)s1.
What is the InChIKey of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
The InChIKey is YKMIQQMCYBVPDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2S2/c1-10-9-17-16(19-10)12(3)18-11(2)15-8-13-6-4-5-7-14(13)20-15/h8-9,11-12,18H,4-7H2,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine?
N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine has a molecular weight of 306.50 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)ethanamine is sourced from PubChem (CID 115726912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).