1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

C15H18N4OS — CID 99804569

IUPAC1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESC[C@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H18N4OS/c1-10-6-5-9-12(10)16-14(20)18-15-17-13(19-21-15)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3,(H2,16,17,18,19,20)/t10-,12+/m0/s1
InChIKeyLFHLAOFUSPUSMD-CMPLNLGQSA-N
MW302.40 g/mol
LogP3.52
Rot. Bonds3

About 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea

1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 99804569) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID99804569
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
SMILESC[C@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccccc2)ns1
InChIInChI=1S/C15H18N4OS/c1-10-6-5-9-12(10)16-14(20)18-15-17-13(19-21-15)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3,(H2,16,17,18,19,20)/t10-,12+/m0/s1
InChIKeyLFHLAOFUSPUSMD-CMPLNLGQSA-N
XLogP3.52
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea
CID 97023354
4-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122076895
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(1S,3R)-3-(trifluoromethyl)cyclohexyl]urea
CID 95163272
N-(3-phenyl-1,2,4-thiadiazol-5-yl)cyclohexanecarboxamide
CID 10637031
(3-phenyl-1,2,4-thiadiazol-5-yl)carbamothioic S-acid
CID 135291997
2,6-dimethyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)morpholine-4-carboxamide
CID 48739001
3-cyclopentylsulfonyl-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 55880683
2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
2-cyclohexyloxy-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 87025493
3-[(3-phenyl-1,2,4-thiadiazol-5-yl)carbamoylamino]-N-propan-2-ylbutanamide
CID 91643650
1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(2S)-1-piperidin-1-ylpropan-2-yl]urea
CID 99783227
1-[(1S,2R)-2-methylcyclohexyl]-3-(3-methyl-5-phenyl-1,2-oxazol-4-yl)urea
CID 97307899

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea (CID 99804569) is 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is C[C@H]1CCC[C@H]1NC(=O)Nc1nc(-c2ccccc2)ns1.
What is the InChIKey of 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is LFHLAOFUSPUSMD-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H18N4OS/c1-10-6-5-9-12(10)16-14(20)18-15-17-13(19-21-15)11-7-3-2-4-8-11/h2-4,7-8,10,12H,5-6,9H2,1H3,(H2,16,17,18,19,20)/t10-,12+/m0/s1.
What are the key properties of 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea?
1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 302.40 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2S)-2-methylcyclopentyl]-3-(3-phenyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 99804569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).