1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea

C16H17N7OS — CID 47038251

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
SMILESCc1nccn1-c1cc(CNC(=O)Nc2nnc(C3CC3)s2)ccn1
InChIInChI=1S/C16H17N7OS/c1-10-17-6-7-23(10)13-8-11(4-5-18-13)9-19-15(24)20-16-22-21-14(25-16)12-2-3-12/h4-8,12H,2-3,9H2,1H3,(H2,19,20,22,24)
InChIKeyMNLBWIVPQKZCTA-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.63
Rot. Bonds5

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea (PubChem CID 47038251) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
PubChem CID47038251
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea
SMILESCc1nccn1-c1cc(CNC(=O)Nc2nnc(C3CC3)s2)ccn1
InChIInChI=1S/C16H17N7OS/c1-10-17-6-7-23(10)13-8-11(4-5-18-13)9-19-15(24)20-16-22-21-14(25-16)12-2-3-12/h4-8,12H,2-3,9H2,1H3,(H2,19,20,22,24)
InChIKeyMNLBWIVPQKZCTA-UHFFFAOYSA-N
XLogP2.63
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea with MolForge

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Related Compounds

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]urea
CID 53498401
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 51080164
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
CID 52986439
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 47050392
1-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-3-[6-(1,2,4-triazol-1-yl)-3-pyridinyl]urea
CID 47040627
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(1,2,5-thiadiazol-3-ylmethyl)urea
CID 166310944
(2S)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 47066876
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 51115815
N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 55716284
1-(3-bromophenyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-2-oxopyrrolidine-3-carboxamide
CID 55847742
1-(benzenesulfonyl)-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 47037457
4-fluoro-3-methyl-N-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]-1-benzothiophene-2-carboxamide
CID 55716468

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea (CID 47038251) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea is Cc1nccn1-c1cc(CNC(=O)Nc2nnc(C3CC3)s2)ccn1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea?
The InChIKey is MNLBWIVPQKZCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-10-17-6-7-23(10)13-8-11(4-5-18-13)9-19-15(24)20-16-22-21-14(25-16)12-2-3-12/h4-8,12H,2-3,9H2,1H3,(H2,19,20,22,24).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea has a molecular weight of 355.43 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[2-(2-methylimidazol-1-yl)-4-pyridinyl]methyl]urea is sourced from PubChem (CID 47038251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).