1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine

C17H19N3S — CID 71996827

IUPAC1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(NCc2cccc3[nH]ccc23)C2CC2)s1
InChIInChI=1S/C17H19N3S/c1-11-9-20-17(21-11)16(12-5-6-12)19-10-13-3-2-4-15-14(13)7-8-18-15/h2-4,7-9,12,16,18-19H,5-6,10H2,1H3
InChIKeyYWLRKDMACPCMMA-UHFFFAOYSA-N
MW297.43 g/mol
LogP4.17
Rot. Bonds5

About 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine

1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine (PubChem CID 71996827) has the molecular formula C17H19N3S and a molecular weight of 297.43 g/mol. Its IUPAC name is 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine
PubChem CID71996827
Molecular FormulaC17H19N3S
Molecular Weight297.43 g/mol
Exact Mass297.13
IUPAC Name1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine
SMILESCc1cnc(C(NCc2cccc3[nH]ccc23)C2CC2)s1
InChIInChI=1S/C17H19N3S/c1-11-9-20-17(21-11)16(12-5-6-12)19-10-13-3-2-4-15-14(13)7-8-18-15/h2-4,7-9,12,16,18-19H,5-6,10H2,1H3
InChIKeyYWLRKDMACPCMMA-UHFFFAOYSA-N
XLogP4.17
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.43
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1S)-1-cyclopropylethyl]-N-(1H-indol-4-ylmethyl)pyrazol-3-amine
CID 97305873
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
(1R)-1-cyclopropyl-N-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 97217952
1-(3,5-dimethylphenyl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 119125336
(1R)-N-(1H-indol-4-ylmethyl)-1-(2-methylphenyl)ethanamine
CID 81373106
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
N-(1H-indol-4-ylmethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 62999754
N-(1H-indol-4-ylmethyl)pent-1-yn-3-amine
CID 106224730
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
CID 17221020
4-[[(3S)-3-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 124940343
1-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 63001888
1-[cyclopropyl-(5-methyl-1,3-thiazol-2-yl)methyl]-3-(2-hydroxy-1-phenylethyl)urea
CID 111508037

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine (CID 71996827) is 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine is Cc1cnc(C(NCc2cccc3[nH]ccc23)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
The InChIKey is YWLRKDMACPCMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3S/c1-11-9-20-17(21-11)16(12-5-6-12)19-10-13-3-2-4-15-14(13)7-8-18-15/h2-4,7-9,12,16,18-19H,5-6,10H2,1H3.
What are the key properties of 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine?
1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine has a molecular weight of 297.43 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-(1H-indol-4-ylmethyl)-1-(5-methyl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 71996827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).