[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine

C16H19N3S — CID 66410337

IUPAC[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
SMILESCC(C)c1nc(Cn2cc(CN)c3ccccc32)cs1
InChIInChI=1S/C16H19N3S/c1-11(2)16-18-13(10-20-16)9-19-8-12(7-17)14-5-3-4-6-15(14)19/h3-6,8,10-11H,7,9,17H2,1-2H3
InChIKeyUTMGJZLBMWSIBV-UHFFFAOYSA-N
MW285.42 g/mol
LogP3.73
Rot. Bonds4

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

[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine (PubChem CID 66410337) has the molecular formula C16H19N3S and a molecular weight of 285.42 g/mol. Its IUPAC name is [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine.

Molecular Properties

Compound Name[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
PubChem CID66410337
Molecular FormulaC16H19N3S
Molecular Weight285.42 g/mol
Exact Mass285.13
IUPAC Name[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine
SMILESCC(C)c1nc(Cn2cc(CN)c3ccccc32)cs1
InChIInChI=1S/C16H19N3S/c1-11(2)16-18-13(10-20-16)9-19-8-12(7-17)14-5-3-4-6-15(14)19/h3-6,8,10-11H,7,9,17H2,1-2H3
InChIKeyUTMGJZLBMWSIBV-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.42
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-[(2-methyl-1,3-thiazol-4-yl)methyl]indol-3-yl]propan-2-amine
CID 66404653
4-[(3-methylindazol-1-yl)methyl]-2-propan-2-yl-1,3-thiazole
CID 141439042
1-[1-[(2-ethyl-1,3-thiazol-4-yl)methyl]indol-3-yl]-N-methylmethanamine
CID 66408636
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]imidazol-2-yl]methanamine
CID 62222485
[1-[(3-methyl-2-pyridinyl)methyl]indol-3-yl]methanamine
CID 112651068
[1-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]indol-3-yl]methanamine
CID 66407282
N-[[1-(1,3-thiazol-4-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66407995
N-[[1-(pyridin-2-ylmethyl)indol-3-yl]methyl]propan-2-amine
CID 66402503
[1-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]indol-3-yl]methanamine
CID 66407495
[1-[(2-methyltetrazol-5-yl)methyl]indol-3-yl]methanamine
CID 107045487
2-[1-[(1-methylpyrazol-3-yl)methyl]indol-3-yl]ethanamine
CID 82871680
[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]indol-3-yl]methanamine
CID 66410340

Frequently Asked Questions

What is the IUPAC name of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine?
The IUPAC name of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine (CID 66410337) is [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine.
What is the SMILES notation for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine?
The canonical SMILES for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine is CC(C)c1nc(Cn2cc(CN)c3ccccc32)cs1.
What is the InChIKey of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine?
The InChIKey is UTMGJZLBMWSIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3S/c1-11(2)16-18-13(10-20-16)9-19-8-12(7-17)14-5-3-4-6-15(14)19/h3-6,8,10-11H,7,9,17H2,1-2H3.
What are the key properties of [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine?
[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine has a molecular weight of 285.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-3-yl]methanamine is sourced from PubChem (CID 66410337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).