1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea

C15H19N5OS — CID 46988006

IUPAC1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea
SMILESCc1ccc(-c2nnc(NC(=O)NC3CCNCC3)s2)cc1
InChIInChI=1S/C15H19N5OS/c1-10-2-4-11(5-3-10)13-19-20-15(22-13)18-14(21)17-12-6-8-16-9-7-12/h2-5,12,16H,6-9H2,1H3,(H2,17,18,20,21)
InChIKeyOIXATKSGOKJQLF-UHFFFAOYSA-N
MW317.42 g/mol
LogP2.39
Rot. Bonds3

About 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea

1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea (PubChem CID 46988006) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea.

Molecular Properties

Compound Name1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea
PubChem CID46988006
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC Name1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea
SMILESCc1ccc(-c2nnc(NC(=O)NC3CCNCC3)s2)cc1
InChIInChI=1S/C15H19N5OS/c1-10-2-4-11(5-3-10)13-19-20-15(22-13)18-14(21)17-12-6-8-16-9-7-12/h2-5,12,16H,6-9H2,1H3,(H2,17,18,20,21)
InChIKeyOIXATKSGOKJQLF-UHFFFAOYSA-N
XLogP2.39
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(N,4-dimethylanilino)-[1,3]thiazolo[5,4-b]pyridin-2-yl]-3-piperidin-4-ylurea
CID 142682173
4-(5-acetamido-1,3,4-thiadiazol-2-yl)-N-cyclopropyl-N-piperidin-4-ylbenzamide
CID 118292216
1-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(4-methylphenyl)urea
CID 881128
1-(3,4-dimethylphenyl)-3-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]urea
CID 931488
N-[5-(3,5-dimethylphenyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 119325701
2-ethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]butanamide
CID 3357171
1-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-(2,2,6,6-tetramethylpiperidin-4-yl)urea;2,2,2-trifluoroacetic acid
CID 167849250
2,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 100644344
1-(5-methyl-1,3,4-thiadiazol-2-yl)-3-[1-(2-pyridin-4-ylethyl)piperidin-4-yl]urea
CID 51105910
N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-5-methylsulfonyl-3,4-dihydro-2H-1,5-benzoxazepine-2-carboxamide
CID 133161142
N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]cyclopropanecarboxamide
CID 4142881
3,4-dimethyl-N-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 16813790

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea?
The IUPAC name of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea (CID 46988006) is 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea.
What is the SMILES notation for 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea?
The canonical SMILES for 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea is Cc1ccc(-c2nnc(NC(=O)NC3CCNCC3)s2)cc1.
What is the InChIKey of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea?
The InChIKey is OIXATKSGOKJQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-10-2-4-11(5-3-10)13-19-20-15(22-13)18-14(21)17-12-6-8-16-9-7-12/h2-5,12,16H,6-9H2,1H3,(H2,17,18,20,21).
What are the key properties of 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea?
1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea has a molecular weight of 317.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methylphenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylurea is sourced from PubChem (CID 46988006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).