1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea

C16H20N6O2S — CID 119061615

IUPAC1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
SMILESCOCCn1c(C)cc2cc(NC(=O)NCc3nnc(N)s3)ccc21
InChIInChI=1S/C16H20N6O2S/c1-10-7-11-8-12(3-4-13(11)22(10)5-6-24-2)19-16(23)18-9-14-20-21-15(17)25-14/h3-4,7-8H,5-6,9H2,1-2H3,(H2,17,21)(H2,18,19,23)
InChIKeyDFPQEQPBGMUOEY-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.35
Rot. Bonds6

About 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea

1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea (PubChem CID 119061615) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea.

Molecular Properties

Compound Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
PubChem CID119061615
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea
SMILESCOCCn1c(C)cc2cc(NC(=O)NCc3nnc(N)s3)ccc21
InChIInChI=1S/C16H20N6O2S/c1-10-7-11-8-12(3-4-13(11)22(10)5-6-24-2)19-16(23)18-9-14-20-21-15(17)25-14/h3-4,7-8H,5-6,9H2,1-2H3,(H2,17,21)(H2,18,19,23)
InChIKeyDFPQEQPBGMUOEY-UHFFFAOYSA-N
XLogP2.35
TPSA107.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
The IUPAC name of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea (CID 119061615) is 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea.
What is the SMILES notation for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
The canonical SMILES for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea is COCCn1c(C)cc2cc(NC(=O)NCc3nnc(N)s3)ccc21.
What is the InChIKey of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
The InChIKey is DFPQEQPBGMUOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-10-7-11-8-12(3-4-13(11)22(10)5-6-24-2)19-16(23)18-9-14-20-21-15(17)25-14/h3-4,7-8H,5-6,9H2,1-2H3,(H2,17,21)(H2,18,19,23).
What are the key properties of 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea?
1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea has a molecular weight of 360.44 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-[1-(2-methoxyethyl)-2-methylindol-5-yl]urea is sourced from PubChem (CID 119061615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).