1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea

C16H21N5O2S — CID 94024670

IUPAC1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C16H21N5O2S/c1-12-2-4-13(5-3-12)14(10-21-6-8-23-9-7-21)18-15(22)19-16-20-17-11-24-16/h2-5,11,14H,6-10H2,1H3,(H2,18,19,20,22)/t14-/m1/s1
InChIKeyADONGOMGXZJGTO-CQSZACIVSA-N
MW347.44 g/mol
LogP2.04
Rot. Bonds5

About 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 94024670) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID94024670
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESCc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2nncs2)cc1
InChIInChI=1S/C16H21N5O2S/c1-12-2-4-13(5-3-12)14(10-21-6-8-23-9-7-21)18-15(22)19-16-20-17-11-24-16/h2-5,11,14H,6-10H2,1H3,(H2,18,19,20,22)/t14-/m1/s1
InChIKeyADONGOMGXZJGTO-CQSZACIVSA-N
XLogP2.04
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-2-thiophen-2-ylacetamide
CID 51925350
5-bromo-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 27362650
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(4-propan-2-ylphenyl)thiourea
CID 8563544
3,4-dimethyl-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]benzamide
CID 9144477
(E)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 9144799
1-[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-[3-[(2-oxopyrimidin-1-yl)methyl]phenyl]urea
CID 52909829
2-(4-chlorophenyl)sulfonyl-N-[1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 24560111
N-[(2R)-1-[[(1R)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 51963827
[(1S)-2-morpholin-4-yl-1-phenylethyl]carbamic acid
CID 68931667
2-(4-methylphenyl)sulfanyl-N-[(1S)-2-morpholin-4-yl-1-phenylethyl]acetamide
CID 9149582
2-(4-methoxyphenoxy)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 9144531
3-(4-fluorophenyl)-N-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 9144843

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 94024670) is 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea is Cc1ccc([C@@H](CN2CCOCC2)NC(=O)Nc2nncs2)cc1.
What is the InChIKey of 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is ADONGOMGXZJGTO-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-12-2-4-13(5-3-12)14(10-21-6-8-23-9-7-21)18-15(22)19-16-20-17-11-24-16/h2-5,11,14H,6-10H2,1H3,(H2,18,19,20,22)/t14-/m1/s1.
What are the key properties of 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 347.44 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 94024670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).