N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

C13H18N2S2 — CID 62652461

IUPACN-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(Cc2cccs2)s1
InChIInChI=1S/C13H18N2S2/c1-3-6-14-10(2)12-9-15-13(17-12)8-11-5-4-7-16-11/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyUSDKFBMZZWJSLQ-UHFFFAOYSA-N
MW266.43 g/mol
LogP3.86
Rot. Bonds6

About N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine

N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (PubChem CID 62652461) has the molecular formula C13H18N2S2 and a molecular weight of 266.43 g/mol. Its IUPAC name is N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
PubChem CID62652461
Molecular FormulaC13H18N2S2
Molecular Weight266.43 g/mol
Exact Mass266.09
IUPAC NameN-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnc(Cc2cccs2)s1
InChIInChI=1S/C13H18N2S2/c1-3-6-14-10(2)12-9-15-13(17-12)8-11-5-4-7-16-11/h4-5,7,9-10,14H,3,6,8H2,1-2H3
InChIKeyUSDKFBMZZWJSLQ-UHFFFAOYSA-N
XLogP3.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-[(2-fluorophenyl)methyl]-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 55102154
N-methyl-5-[1-(propylamino)ethyl]-N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 79493798
N-methyl-1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 62502528
(1S)-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81399072
N-propyl-1-thiophen-2-ylpropan-2-amine
CID 43692824
N-[2-thiophen-2-yl-1-[2-(trifluoromethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine
CID 106783159
N-ethyl-1-[2-(pyridin-2-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 62651177
N-[1-[5-(2-thiophen-2-ylethoxy)-2-pyridinyl]ethyl]propan-1-amine
CID 83124267
1-[2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-ethylethanamine
CID 62904548
N-[[4-(2-methylpropyl)-2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368931
N-ethyl-1-[2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]ethanamine
CID 62653744
(1S)-1-thiophen-2-yl-N-(thiophen-2-ylmethyl)ethanamine
CID 28668621

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine (CID 62652461) is N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is CCCNC(C)c1cnc(Cc2cccs2)s1.
What is the InChIKey of N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
The InChIKey is USDKFBMZZWJSLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S2/c1-3-6-14-10(2)12-9-15-13(17-12)8-11-5-4-7-16-11/h4-5,7,9-10,14H,3,6,8H2,1-2H3.
What are the key properties of N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine?
N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine has a molecular weight of 266.43 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(thiophen-2-ylmethyl)-1,3-thiazol-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62652461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).