1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea

C15H17N5OS — CID 154395757

IUPAC1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea
SMILESN#Cc1ccc2nc(N(CC3CCNCC3)C(N)=O)sc2c1
InChIInChI=1S/C15H17N5OS/c16-8-11-1-2-12-13(7-11)22-15(19-12)20(14(17)21)9-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,9H2,(H2,17,21)
InChIKeyDEABVFUHODDUPM-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.05
Rot. Bonds3

About 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea

1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea (PubChem CID 154395757) has the molecular formula C15H17N5OS and a molecular weight of 315.40 g/mol. Its IUPAC name is 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea
PubChem CID154395757
Molecular FormulaC15H17N5OS
Molecular Weight315.40 g/mol
Exact Mass315.12
IUPAC Name1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea
SMILESN#Cc1ccc2nc(N(CC3CCNCC3)C(N)=O)sc2c1
InChIInChI=1S/C15H17N5OS/c16-8-11-1-2-12-13(7-11)22-15(19-12)20(14(17)21)9-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,9H2,(H2,17,21)
InChIKeyDEABVFUHODDUPM-UHFFFAOYSA-N
XLogP2.05
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-benzylpiperazin-1-yl)acetamide
CID 7709138
Benzyl-(6-methyl-benzothiazol-2-yl)-amine
CID 2363758
N-(6-Cyano-3h-1,3-Benzothiazol-2-Ylidene)ethanamide
CID 121225571
1-[2-(Dimethylamino)ethyl]-3-[6-(2-ethylphenyl)-1,3-benzothiazol-2-yl]urea
CID 71654679
1-[6-(2-Ethylphenyl)-1,3-benzothiazol-2-yl]-3-(2-morpholin-4-ylethyl)urea
CID 71654755
1-Ethyl-3-(6-phenyl-1,3-benzothiazol-2-yl)urea
CID 71655663
1-(1,3-Benzothiazol-2-yl)-3-cyclohexylurea
CID 762207
4-(1,3-benzothiazol-2-yl)-N-ethylpiperidine-1-carboxamide
CID 1488116
N-allyl-4-(1,3-benzothiazol-2-yl)tetrahydro-1(2H)-pyridinecarboxamide
CID 3849718
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 7538937
1-[4-(6-Ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]butan-1-one
CID 7538944
N-(3-(dimethylamino)propyl)-N-(6-methylbenzo[d]thiazol-2-yl)acetamide hydrochloride
CID 16194665

Frequently Asked Questions

What is the IUPAC name of 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea (CID 154395757) is 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea is N#Cc1ccc2nc(N(CC3CCNCC3)C(N)=O)sc2c1.
What is the InChIKey of 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea?
The InChIKey is DEABVFUHODDUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5OS/c16-8-11-1-2-12-13(7-11)22-15(19-12)20(14(17)21)9-10-3-5-18-6-4-10/h1-2,7,10,18H,3-6,9H2,(H2,17,21).
What are the key properties of 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea?
1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea has a molecular weight of 315.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-cyano-1,3-benzothiazol-2-yl)-1-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 154395757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).