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

C14H15N5S — CID 15636984

IUPAC1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)Cc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C14H15N5S/c1-19(14(15)16)7-13-18-12(8-20-13)10-6-17-11-5-3-2-4-9(10)11/h2-6,8,17H,7H2,1H3,(H3,15,16)
InChIKeyQDPQXKBLRGKFJX-UHFFFAOYSA-N
MW285.38 g/mol
LogP2.62
Rot. Bonds3

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

1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine (PubChem CID 15636984) has the molecular formula C14H15N5S and a molecular weight of 285.38 g/mol. Its IUPAC name is 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine.

Molecular Properties

Compound Name1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine
PubChem CID15636984
Molecular FormulaC14H15N5S
Molecular Weight285.38 g/mol
Exact Mass285.10
IUPAC Name1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine
SMILES[H]/N=C(\N)N(C)Cc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C14H15N5S/c1-19(14(15)16)7-13-18-12(8-20-13)10-6-17-11-5-3-2-4-9(10)11/h2-6,8,17H,7H2,1H3,(H3,15,16)
InChIKeyQDPQXKBLRGKFJX-UHFFFAOYSA-N
XLogP2.62
TPSA81.79 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 ≤ 52.62
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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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine?
The IUPAC name of 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine (CID 15636984) is 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine.
What is the SMILES notation for 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine?
The canonical SMILES for 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine is [H]/N=C(\N)N(C)Cc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine?
The InChIKey is QDPQXKBLRGKFJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5S/c1-19(14(15)16)7-13-18-12(8-20-13)10-6-17-11-5-3-2-4-9(10)11/h2-6,8,17H,7H2,1H3,(H3,15,16).
What are the key properties of 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine?
1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine has a molecular weight of 285.38 g/mol, XLogP of 2.62, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(1H-indol-3-yl)-1,3-thiazol-2-yl]methyl]-1-methylguanidine is sourced from PubChem (CID 15636984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).