1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea

C17H17N5OS — CID 129358685

IUPAC1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
SMILESCc1nnc(NC(=O)N[C@@H](Cc2ccccn2)c2ccccc2)s1
InChIInChI=1S/C17H17N5OS/c1-12-21-22-17(24-12)20-16(23)19-15(13-7-3-2-4-8-13)11-14-9-5-6-10-18-14/h2-10,15H,11H2,1H3,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyRLASJWOJCPQDIV-HNNXBMFYSA-N
MW339.42 g/mol
LogP3.35
Rot. Bonds5

About 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea

1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea (PubChem CID 129358685) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea.

Molecular Properties

Compound Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
PubChem CID129358685
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea
SMILESCc1nnc(NC(=O)N[C@@H](Cc2ccccn2)c2ccccc2)s1
InChIInChI=1S/C17H17N5OS/c1-12-21-22-17(24-12)20-16(23)19-15(13-7-3-2-4-8-13)11-14-9-5-6-10-18-14/h2-10,15H,11H2,1H3,(H2,19,20,22,23)/t15-/m0/s1
InChIKeyRLASJWOJCPQDIV-HNNXBMFYSA-N
XLogP3.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea with MolForge

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Related Compounds

(1-phenyl-2-pyridin-2-ylethyl)carbamic acid
CID 134541861
ethyl (3S)-3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoate
CID 94782815
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[phenyl(pyridin-4-yl)methyl]urea
CID 60565291
(2S)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-3-phenylpropanoic acid
CID 104873963
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]urea
CID 94101832
1,3,5-trimethyl-N-[(1R)-1-phenyl-2-pyridin-2-ylethyl]pyrazole-4-carboxamide
CID 124872713
N-(5-methyl-1,3,4-thiadiazol-2-yl)-N'-[(1S)-1-phenylethyl]oxamide
CID 9402765
(2S)-3-methoxy-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 129199722
[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
CID 99792892
3-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]propanamide
CID 134542197
2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-phenylethanol
CID 64982613
1-amino-N-[2-oxo-2-[(1-phenyl-2-pyridin-2-ylethyl)amino]ethyl]cyclopropane-1-carboxamide
CID 134541309

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?
The IUPAC name of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea (CID 129358685) is 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea.
What is the SMILES notation for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?
The canonical SMILES for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea is Cc1nnc(NC(=O)N[C@@H](Cc2ccccn2)c2ccccc2)s1.
What is the InChIKey of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?
The InChIKey is RLASJWOJCPQDIV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-12-21-22-17(24-12)20-16(23)19-15(13-7-3-2-4-8-13)11-14-9-5-6-10-18-14/h2-10,15H,11H2,1H3,(H2,19,20,22,23)/t15-/m0/s1.
What are the key properties of 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea?
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea has a molecular weight of 339.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[(1S)-1-phenyl-2-pyridin-2-ylethyl]urea is sourced from PubChem (CID 129358685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).