1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea

C16H23N5O2S — CID 22509881

IUPAC1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
SMILESCCCN(CCC)c1nnc(NC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C16H23N5O2S/c1-4-10-21(11-5-2)16-20-19-15(24-16)18-14(22)17-12-8-6-7-9-13(12)23-3/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18,19,22)
InChIKeyGCAKMJFFICWCMD-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.82
Rot. Bonds8

About 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea

1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea (PubChem CID 22509881) has the molecular formula C16H23N5O2S and a molecular weight of 349.46 g/mol. Its IUPAC name is 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.

Molecular Properties

Compound Name1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
PubChem CID22509881
Molecular FormulaC16H23N5O2S
Molecular Weight349.46 g/mol
Exact Mass349.16
IUPAC Name1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
SMILESCCCN(CCC)c1nnc(NC(=O)Nc2ccccc2OC)s1
InChIInChI=1S/C16H23N5O2S/c1-4-10-21(11-5-2)16-20-19-15(24-16)18-14(22)17-12-8-6-7-9-13(12)23-3/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18,19,22)
InChIKeyGCAKMJFFICWCMD-UHFFFAOYSA-N
XLogP3.82
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 881043
1-(2-methoxyphenyl)-3-[5-(phenoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1075779
1-(5-benzhydryl-1,3,4-thiadiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 2895646
1-(2-methoxyphenyl)-3-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1385139
1-[5-[(4-chlorophenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1075856
2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]-N-(2-methylphenyl)acetamide
CID 1075751
1-(4-ethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 121080923
N-benzyl-2-[5-[(2-methoxyphenyl)carbamoylamino]-1,3,4-thiadiazol-2-yl]acetamide
CID 1075855
6-(dipropylamino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109161816
1-[5-[(4-chloro-3-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 1335345
2-[2-[(2-methoxyphenyl)carbamoylamino]-1,3-thiazol-4-yl]acetic acid
CID 16772505
1-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(2-methoxyphenyl)urea
CID 17383803

Frequently Asked Questions

What is the IUPAC name of 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
The IUPAC name of 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea (CID 22509881) is 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea.
What is the SMILES notation for 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
The canonical SMILES for 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea is CCCN(CCC)c1nnc(NC(=O)Nc2ccccc2OC)s1.
What is the InChIKey of 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
The InChIKey is GCAKMJFFICWCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O2S/c1-4-10-21(11-5-2)16-20-19-15(24-16)18-14(22)17-12-8-6-7-9-13(12)23-3/h6-9H,4-5,10-11H2,1-3H3,(H2,17,18,19,22).
What are the key properties of 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea?
1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea has a molecular weight of 349.46 g/mol, XLogP of 3.82, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(dipropylamino)-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)urea is sourced from PubChem (CID 22509881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).