1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea

C14H15N5OS — CID 30957559

IUPAC1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCc1ccc2[nH]cc(CN(C)C(=O)Nc3nncs3)c2c1
InChIInChI=1S/C14H15N5OS/c1-9-3-4-12-11(5-9)10(6-15-12)7-19(2)14(20)17-13-18-16-8-21-13/h3-6,8,15H,7H2,1-2H3,(H,17,18,20)
InChIKeyNTFOZOMAFJQGCW-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.99
Rot. Bonds3

About 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 30957559) has the molecular formula C14H15N5OS and a molecular weight of 301.38 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID30957559
Molecular FormulaC14H15N5OS
Molecular Weight301.38 g/mol
Exact Mass301.10
IUPAC Name1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCc1ccc2[nH]cc(CN(C)C(=O)Nc3nncs3)c2c1
InChIInChI=1S/C14H15N5OS/c1-9-3-4-12-11(5-9)10(6-15-12)7-19(2)14(20)17-13-18-16-8-21-13/h3-6,8,15H,7H2,1-2H3,(H,17,18,20)
InChIKeyNTFOZOMAFJQGCW-UHFFFAOYSA-N
XLogP2.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 30957559) is 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea is Cc1ccc2[nH]cc(CN(C)C(=O)Nc3nncs3)c2c1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is NTFOZOMAFJQGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5OS/c1-9-3-4-12-11(5-9)10(6-15-12)7-19(2)14(20)17-13-18-16-8-21-13/h3-6,8,15H,7H2,1-2H3,(H,17,18,20).
What are the key properties of 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 301.38 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1H-indol-3-yl)methyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 30957559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).