2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine

C15H19N3S2 — CID 143310722

IUPAC2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine
SMILESCC(C)SN(C)c1cccc2cc(C3=NCCS3)[nH]c12
InChIInChI=1S/C15H19N3S2/c1-10(2)20-18(3)13-6-4-5-11-9-12(17-14(11)13)15-16-7-8-19-15/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyMDUSWVZIPVLHGP-UHFFFAOYSA-N
MW305.47 g/mol
LogP4.15
Rot. Bonds4

About 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine

2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine (PubChem CID 143310722) has the molecular formula C15H19N3S2 and a molecular weight of 305.47 g/mol. Its IUPAC name is 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine.

Molecular Properties

Compound Name2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine
PubChem CID143310722
Molecular FormulaC15H19N3S2
Molecular Weight305.47 g/mol
Exact Mass305.10
IUPAC Name2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine
SMILESCC(C)SN(C)c1cccc2cc(C3=NCCS3)[nH]c12
InChIInChI=1S/C15H19N3S2/c1-10(2)20-18(3)13-6-4-5-11-9-12(17-14(11)13)15-16-7-8-19-15/h4-6,9-10,17H,7-8H2,1-3H3
InChIKeyMDUSWVZIPVLHGP-UHFFFAOYSA-N
XLogP4.15
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine?
The IUPAC name of 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine (CID 143310722) is 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine.
What is the SMILES notation for 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine?
The canonical SMILES for 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine is CC(C)SN(C)c1cccc2cc(C3=NCCS3)[nH]c12.
What is the InChIKey of 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine?
The InChIKey is MDUSWVZIPVLHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3S2/c1-10(2)20-18(3)13-6-4-5-11-9-12(17-14(11)13)15-16-7-8-19-15/h4-6,9-10,17H,7-8H2,1-3H3.
What are the key properties of 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine?
2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine has a molecular weight of 305.47 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1,3-thiazol-2-yl)-N-methyl-N-propan-2-ylsulfanyl-1H-indol-7-amine is sourced from PubChem (CID 143310722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).