N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine

C18H16N4S — CID 5066771

IUPACN-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine
SMILESCc1[nH]c2ccccc2c1C(Nc1nccs1)c1ccncc1
InChIInChI=1S/C18H16N4S/c1-12-16(14-4-2-3-5-15(14)21-12)17(13-6-8-19-9-7-13)22-18-20-10-11-23-18/h2-11,17,21H,1H3,(H,20,22)
InChIKeyZHSXKDYZIMWDFM-UHFFFAOYSA-N
MW320.42 g/mol
LogP4.53
Rot. Bonds4

About N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine

N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine (PubChem CID 5066771) has the molecular formula C18H16N4S and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine
PubChem CID5066771
Molecular FormulaC18H16N4S
Molecular Weight320.42 g/mol
Exact Mass320.11
IUPAC NameN-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine
SMILESCc1[nH]c2ccccc2c1C(Nc1nccs1)c1ccncc1
InChIInChI=1S/C18H16N4S/c1-12-16(14-4-2-3-5-15(14)21-12)17(13-6-8-19-9-7-13)22-18-20-10-11-23-18/h2-11,17,21H,1H3,(H,20,22)
InChIKeyZHSXKDYZIMWDFM-UHFFFAOYSA-N
XLogP4.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

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CID 636970
Timegadine
CID 68902
Minzasolmin
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Indole, 3-(N-2-thiazolylformimidoyl)-
CID 135403056
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
N-(4-tert-butylthiazol-2-yl)quinolin-5-amine
CID 9900444
N-(4-tert-butylthiazol-2-yl)-1H-indol-4-amine
CID 21866574
6-[5-(5-Amino-1,3,4-Thiadiazol-2-Yl)-1h-Indol-3-Yl]-N-Cyclopentylpyridin-2-Amine
CID 68328588
1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
CID 9857574
1H-Indole, 3-(2-pyridin-3-yl-thiazol-4-yl)-
CID 711817
3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1H-indole
CID 711829
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine (CID 5066771) is N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine is Cc1[nH]c2ccccc2c1C(Nc1nccs1)c1ccncc1.
What is the InChIKey of N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine?
The InChIKey is ZHSXKDYZIMWDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4S/c1-12-16(14-4-2-3-5-15(14)21-12)17(13-6-8-19-9-7-13)22-18-20-10-11-23-18/h2-11,17,21H,1H3,(H,20,22).
What are the key properties of N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine?
N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine has a molecular weight of 320.42 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 5066771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).