N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine

C12H16N2S2 — CID 115895032

IUPACN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCc1ncc(CCNC(C)c2ccsc2)s1
InChIInChI=1S/C12H16N2S2/c1-9(11-4-6-15-8-11)13-5-3-12-7-14-10(2)16-12/h4,6-9,13H,3,5H2,1-2H3
InChIKeySRHHANHWHMTEDQ-UHFFFAOYSA-N
MW252.41 g/mol
LogP3.41
Rot. Bonds5

About N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine

N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine (PubChem CID 115895032) has the molecular formula C12H16N2S2 and a molecular weight of 252.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine
PubChem CID115895032
Molecular FormulaC12H16N2S2
Molecular Weight252.41 g/mol
Exact Mass252.08
IUPAC NameN-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine
SMILESCc1ncc(CCNC(C)c2ccsc2)s1
InChIInChI=1S/C12H16N2S2/c1-9(11-4-6-15-8-11)13-5-3-12-7-14-10(2)16-12/h4,6-9,13H,3,5H2,1-2H3
InChIKeySRHHANHWHMTEDQ-UHFFFAOYSA-N
XLogP3.41
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-(1,3-thiazol-2-yl)ethanamine
CID 115895004
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-thiophen-3-ylethanamine
CID 103777232
N-(2-pyridin-4-ylethyl)-1-thiophen-3-ylethanamine
CID 62089117
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-3-ylpropan-2-amine
CID 61224120
3-(1-thiophen-3-ylethylamino)propan-1-ol
CID 53274757
N-(2-methoxyethyl)-1-thiophen-3-ylethanamine
CID 53274740
N-(1-thiophen-3-ylethyl)decan-1-amine
CID 63491588
(1S)-N-[(1R)-1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-1-thiophen-3-ylethanamine
CID 99637053
1-(2-hydroxy-2-thiophen-3-ylethyl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 111440973
N',N'-dimethyl-N-(1-thiophen-3-ylethyl)propane-1,3-diamine
CID 53274606
1-cyclobutyl-N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]propan-2-amine
CID 115894995
3-propan-2-yloxy-N-(1-thiophen-3-ylethyl)propan-1-amine
CID 62089262

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine?
The IUPAC name of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine (CID 115895032) is N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine.
What is the SMILES notation for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine?
The canonical SMILES for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine is Cc1ncc(CCNC(C)c2ccsc2)s1.
What is the InChIKey of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine?
The InChIKey is SRHHANHWHMTEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2S2/c1-9(11-4-6-15-8-11)13-5-3-12-7-14-10(2)16-12/h4,6-9,13H,3,5H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine?
N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine has a molecular weight of 252.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-thiazol-5-yl)ethyl]-1-thiophen-3-ylethanamine is sourced from PubChem (CID 115895032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).