N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine

C16H19N3S — CID 66407995

IUPACN-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cscn2)c2ccccc12
InChIInChI=1S/C16H19N3S/c1-12(2)17-7-13-8-19(9-14-10-20-11-18-14)16-6-4-3-5-15(13)16/h3-6,8,10-12,17H,7,9H2,1-2H3
InChIKeyOKFSIDJBWXSYPW-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.64
Rot. Bonds5

About N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine

N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine (PubChem CID 66407995) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
PubChem CID66407995
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC NameN-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
SMILESCC(C)NCc1cn(Cc2cscn2)c2ccccc12
InChIInChI=1S/C16H19N3S/c1-12(2)17-7-13-8-19(9-14-10-20-11-18-14)16-6-4-3-5-15(13)16/h3-6,8,10-12,17H,7,9H2,1-2H3
InChIKeyOKFSIDJBWXSYPW-UHFFFAOYSA-N
XLogP3.64
TPSA29.85 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 ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
N-[[1-[2-(dimethylamino)ethyl]indol-3-yl]methyl]propan-2-amine
CID 66401921
N-[[1-(3-methylbut-3-enyl)indol-3-yl]methyl]propan-2-amine
CID 114477034
2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetic acid
CID 83776315
2-[2-[3-[(propan-2-ylamino)methyl]indol-1-yl]ethoxy]ethanol
CID 66402697
N-methyl-3-[3-[(propan-2-ylamino)methyl]indol-1-yl]propanamide
CID 66401524
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
CID 66410337
N-ethyl-2-[3-[(propan-2-ylamino)methyl]indol-1-yl]acetamide
CID 66407991
2-methoxy-N-[[1-(1,3-thiazol-4-ylmethyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]ethanamine
CID 66413414
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66408636
4-(indol-1-ylmethyl)-1,3-thiazole
CID 22397295
(2S)-N-[[1-[(2-fluorophenyl)methyl]indol-3-yl]methyl]butan-2-amine
CID 124823609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine (CID 66407995) is N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine is CC(C)NCc1cn(Cc2cscn2)c2ccccc12.
What is the InChIKey of N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine?
The InChIKey is OKFSIDJBWXSYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-12(2)17-7-13-8-19(9-14-10-20-11-18-14)16-6-4-3-5-15(13)16/h3-6,8,10-12,17H,7,9H2,1-2H3.
What are the key properties of N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine?
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine has a molecular weight of 285.42 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 66407995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).