1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine

C16H19N3S — CID 102917327

IUPAC1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2ccn(Cc3nccs3)c12
InChIInChI=1S/C16H19N3S/c1-2-14(17)10-13-5-3-4-12-6-8-19(16(12)13)11-15-18-7-9-20-15/h3-9,14H,2,10-11,17H2,1H3
InChIKeyGDQOIIJHOHVOTL-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.43
Rot. Bonds5

About 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine

1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine (PubChem CID 102917327) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine.

Molecular Properties

Compound Name1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
PubChem CID102917327
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine
SMILESCCC(N)Cc1cccc2ccn(Cc3nccs3)c12
InChIInChI=1S/C16H19N3S/c1-2-14(17)10-13-5-3-4-12-6-8-19(16(12)13)11-15-18-7-9-20-15/h3-9,14H,2,10-11,17H2,1H3
InChIKeyGDQOIIJHOHVOTL-UHFFFAOYSA-N
XLogP3.43
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(2-ethylbutyl)indol-7-yl]butan-2-amine
CID 102917351
1-[1-(4-methylpentyl)indol-7-yl]butan-2-amine
CID 102917352
4-[7-(2-aminobutyl)indol-1-yl]butanenitrile
CID 102917322
1-[1-(quinolin-8-ylmethyl)pyrrol-2-yl]butan-2-amine
CID 66405485
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-benzyl-7-(2-methylpropyl)indole
CID 59836563
1-[1-[(5-methyl-3-pyridinyl)methyl]indol-7-yl]propan-2-amine
CID 102917234
1-[1-(2-methylpentyl)indol-7-yl]propan-2-amine
CID 102917302
N-[[1-(pyrimidin-2-ylmethyl)indol-7-yl]methyl]ethanamine
CID 102914224
N-methyl-1-[1-[(2-propyl-1,3-thiazol-4-yl)methyl]indol-7-yl]methanamine
CID 102913727
[1-[(2-methoxy-3-pyridinyl)methyl]indol-7-yl]methanamine
CID 102913706
1-[1-[(3-bromothiophen-2-yl)methyl]imidazol-2-yl]butan-2-amine
CID 55181842

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine?
The IUPAC name of 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine (CID 102917327) is 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine.
What is the SMILES notation for 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine?
The canonical SMILES for 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine is CCC(N)Cc1cccc2ccn(Cc3nccs3)c12.
What is the InChIKey of 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine?
The InChIKey is GDQOIIJHOHVOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-2-14(17)10-13-5-3-4-12-6-8-19(16(12)13)11-15-18-7-9-20-15/h3-9,14H,2,10-11,17H2,1H3.
What are the key properties of 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine?
1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-thiazol-2-ylmethyl)indol-7-yl]butan-2-amine is sourced from PubChem (CID 102917327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).