3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea

C14H17ClN4OS — CID 126444709

IUPAC3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea
SMILESCc1nnsc1CN(C)C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4OS/c1-9(11-6-4-5-7-12(11)15)16-14(20)19(3)8-13-10(2)17-18-21-13/h4-7,9H,8H2,1-3H3,(H,16,20)/t9-/m1/s1
InChIKeyGSZSFHNTAJXSPC-SECBINFHSA-N
MW324.84 g/mol
LogP3.40
Rot. Bonds4

About 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea

3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea (PubChem CID 126444709) has the molecular formula C14H17ClN4OS and a molecular weight of 324.84 g/mol. Its IUPAC name is 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea
PubChem CID126444709
Molecular FormulaC14H17ClN4OS
Molecular Weight324.84 g/mol
Exact Mass324.08
IUPAC Name3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea
SMILESCc1nnsc1CN(C)C(=O)N[C@H](C)c1ccccc1Cl
InChIInChI=1S/C14H17ClN4OS/c1-9(11-6-4-5-7-12(11)15)16-14(20)19(3)8-13-10(2)17-18-21-13/h4-7,9H,8H2,1-3H3,(H,16,20)/t9-/m1/s1
InChIKeyGSZSFHNTAJXSPC-SECBINFHSA-N
XLogP3.40
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.84
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189555
(1R)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189556
(1S)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]ethanamine
CID 25189557
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]pentan-1-amine
CID 25189623
(1S)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]pentan-1-amine
CID 130290785
(1R)-1-(2-chloro-6-fluorophenyl)-N'-[(4-cyclopropylthiadiazol-5-yl)methyl]methanediamine
CID 130291116
(2E,4Z,6Z)-1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]octa-2,4,6-trien-1-amine
CID 135225016
1-(2-chloro-6-fluorophenyl)-N-[(4-cyclopropylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 25189625
N-[[4-(2-chloro-4-fluorophenyl)thiadiazol-5-yl]methyl]propan-2-amine
CID 65209745
1-(4-tert-butylthiadiazol-5-yl)-2-(2-chloro-5-fluorophenyl)-N-methylethanamine
CID 102622602
2-(2-chloro-5-fluorophenyl)-N-ethyl-1-(4-ethylthiadiazol-5-yl)ethanamine
CID 102622719
2-(2-chloro-5-fluorophenyl)-N-methyl-1-(4-propan-2-ylthiadiazol-5-yl)ethanamine
CID 102622853

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea?
The IUPAC name of 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea (CID 126444709) is 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea.
What is the SMILES notation for 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea?
The canonical SMILES for 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea is Cc1nnsc1CN(C)C(=O)N[C@H](C)c1ccccc1Cl.
What is the InChIKey of 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea?
The InChIKey is GSZSFHNTAJXSPC-SECBINFHSA-N. The full InChI is InChI=1S/C14H17ClN4OS/c1-9(11-6-4-5-7-12(11)15)16-14(20)19(3)8-13-10(2)17-18-21-13/h4-7,9H,8H2,1-3H3,(H,16,20)/t9-/m1/s1.
What are the key properties of 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea?
3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea has a molecular weight of 324.84 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(2-chlorophenyl)ethyl]-1-methyl-1-[(4-methylthiadiazol-5-yl)methyl]urea is sourced from PubChem (CID 126444709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).