N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine

C17H21N3S — CID 102916609

IUPACN-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
SMILESCNCc1ccc2ccn(Cc3csc(C(C)C)n3)c2c1
InChIInChI=1S/C17H21N3S/c1-12(2)17-19-15(11-21-17)10-20-7-6-14-5-4-13(9-18-3)8-16(14)20/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyXCJPIDUHZIJYPO-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.99
Rot. Bonds5

About N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine

N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine (PubChem CID 102916609) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
PubChem CID102916609
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC NameN-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine
SMILESCNCc1ccc2ccn(Cc3csc(C(C)C)n3)c2c1
InChIInChI=1S/C17H21N3S/c1-12(2)17-19-15(11-21-17)10-20-7-6-14-5-4-13(9-18-3)8-16(14)20/h4-8,11-12,18H,9-10H2,1-3H3
InChIKeyXCJPIDUHZIJYPO-UHFFFAOYSA-N
XLogP3.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine?
The IUPAC name of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine (CID 102916609) is N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine is CNCc1ccc2ccn(Cc3csc(C(C)C)n3)c2c1.
What is the InChIKey of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine?
The InChIKey is XCJPIDUHZIJYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-12(2)17-19-15(11-21-17)10-20-7-6-14-5-4-13(9-18-3)8-16(14)20/h4-8,11-12,18H,9-10H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine?
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine has a molecular weight of 299.44 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]indol-6-yl]methanamine is sourced from PubChem (CID 102916609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).