1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile

C16H15N3S — CID 107920424

IUPAC1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
SMILESCCCc1nc(Cn2ccc3cc(C#N)ccc32)cs1
InChIInChI=1S/C16H15N3S/c1-2-3-16-18-14(11-20-16)10-19-7-6-13-8-12(9-17)4-5-15(13)19/h4-8,11H,2-3,10H2,1H3
InChIKeyLNEWUYZZKLMWJA-UHFFFAOYSA-N
MW281.38 g/mol
LogP3.97
Rot. Bonds4

About 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile

1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile (PubChem CID 107920424) has the molecular formula C16H15N3S and a molecular weight of 281.38 g/mol. Its IUPAC name is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile.

Molecular Properties

Compound Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
PubChem CID107920424
Molecular FormulaC16H15N3S
Molecular Weight281.38 g/mol
Exact Mass281.10
IUPAC Name1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile
SMILESCCCc1nc(Cn2ccc3cc(C#N)ccc32)cs1
InChIInChI=1S/C16H15N3S/c1-2-3-16-18-14(11-20-16)10-19-7-6-13-8-12(9-17)4-5-15(13)19/h4-8,11H,2-3,10H2,1H3
InChIKeyLNEWUYZZKLMWJA-UHFFFAOYSA-N
XLogP3.97
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile?
The IUPAC name of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile (CID 107920424) is 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile.
What is the SMILES notation for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile?
The canonical SMILES for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile is CCCc1nc(Cn2ccc3cc(C#N)ccc32)cs1.
What is the InChIKey of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile?
The InChIKey is LNEWUYZZKLMWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3S/c1-2-3-16-18-14(11-20-16)10-19-7-6-13-8-12(9-17)4-5-15(13)19/h4-8,11H,2-3,10H2,1H3.
What are the key properties of 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile?
1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile has a molecular weight of 281.38 g/mol, XLogP of 3.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propyl-1,3-thiazol-4-yl)methyl]indole-5-carbonitrile is sourced from PubChem (CID 107920424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).