2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine

C14H15N5S — CID 15636972

IUPAC2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine
SMILESCc1[nH]c2ccccc2c1-c1csc(CN=C(N)N)n1
InChIInChI=1S/C14H15N5S/c1-8-13(9-4-2-3-5-10(9)18-8)11-7-20-12(19-11)6-17-14(15)16/h2-5,7,18H,6H2,1H3,(H4,15,16,17)
InChIKeyJIXPOIOGTJMXLD-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.37
Rot. Bonds3

About 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine

2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine (PubChem CID 15636972) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine
PubChem CID15636972
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine
SMILESCc1[nH]c2ccccc2c1-c1csc(CN=C(N)N)n1
InChIInChI=1S/C14H15N5S/c1-8-13(9-4-2-3-5-10(9)18-8)11-7-20-12(19-11)6-17-14(15)16/h2-5,7,18H,6H2,1H3,(H4,15,16,17)
InChIKeyJIXPOIOGTJMXLD-UHFFFAOYSA-N
XLogP2.37
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.38
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine;hydrobromide
CID 166058003
2-(azetidin-3-yl)-4-(2-methyl-1H-indol-3-yl)-1,3-thiazole
CID 116965326
4-(2-methyl-1H-indol-3-yl)-2-thiophen-3-yl-1,3-thiazole
CID 52517778
3,3-dimethyl-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]butanamide
CID 75401712
[6-(2-methyl-1H-indol-3-yl)pyridazin-3-yl]methanamine
CID 82292200
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 24608215
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-3-thiophen-2-ylpropanamide
CID 24568913
4-(2-methyl-1H-indol-3-yl)pyrimidin-2-amine
CID 67553522
[2-(2-methyl-1H-indol-3-yl)-1,3-thiazol-4-yl]hydrazine
CID 116892094
2-[2-(methanesulfonamido)phenyl]-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 86935773
N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]-2-(trifluoromethyl)benzamide
CID 26177070
2-(1-benzofuran-2-yl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 166057991

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine?
The IUPAC name of 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine (CID 15636972) is 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine.
What is the SMILES notation for 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine?
The canonical SMILES for 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine is Cc1[nH]c2ccccc2c1-c1csc(CN=C(N)N)n1.
What is the InChIKey of 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine?
The InChIKey is JIXPOIOGTJMXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-8-13(9-4-2-3-5-10(9)18-8)11-7-20-12(19-11)6-17-14(15)16/h2-5,7,18H,6H2,1H3,(H4,15,16,17).
What are the key properties of 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine?
2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine has a molecular weight of 285.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]guanidine is sourced from PubChem (CID 15636972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).