1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea

C19H22N4OS2 — CID 6490733

IUPAC1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1cccs1
InChIInChI=1S/C19H22N4OS2/c1-13(16-7-4-12-25-16)20-18(24)21-14-8-10-23(11-9-14)19-22-15-5-2-3-6-17(15)26-19/h2-7,12-14H,8-11H2,1H3,(H2,20,21,24)
InChIKeyFIDGCDYGNXZUJJ-UHFFFAOYSA-N
MW386.55 g/mol
LogP4.39
Rot. Bonds4

About 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea

1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea (PubChem CID 6490733) has the molecular formula C19H22N4OS2 and a molecular weight of 386.55 g/mol. Its IUPAC name is 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea.

Molecular Properties

Compound Name1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea
PubChem CID6490733
Molecular FormulaC19H22N4OS2
Molecular Weight386.55 g/mol
Exact Mass386.12
IUPAC Name1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea
SMILESCC(NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1cccs1
InChIInChI=1S/C19H22N4OS2/c1-13(16-7-4-12-25-16)20-18(24)21-14-8-10-23(11-9-14)19-22-15-5-2-3-6-17(15)26-19/h2-7,12-14H,8-11H2,1H3,(H2,20,21,24)
InChIKeyFIDGCDYGNXZUJJ-UHFFFAOYSA-N
XLogP4.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.55
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Methabenzthiazuron
CID 29216
Benzthiazuron
CID 16007
2-Piperazin-1-yl-1,3-benzothiazole
CID 592122
Bentaluron
CID 4408229
N-2-Benzothiazolyl-N'-butylurea
CID 99178
(2S)-1-[2-({3-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]-3-oxopropyl}amino)acetyl]pyrrolidine-2-carbonitrile
CID 11704578
1-Phenyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138107
1-(3-Fluorophenyl)-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138112
1-Cyclohexyl-3-[5-(2-{thieno[3,2-d]pyrimidin-4-ylamino}ethyl)-1,3-thiazol-2-yl]urea
CID 25138118
[(2S,4S)-4-[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]pyrrolidin-2-yl]-(1,3-thiazolidin-3-yl)methanone
CID 66559377
1-(1,3-Benzothiazol-2-yl)-3-propylurea
CID 2130250
N,N'-Bis(2-benzothiazolylmercaptomethyl)urea
CID 219064

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea?
The IUPAC name of 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea (CID 6490733) is 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea.
What is the SMILES notation for 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea?
The canonical SMILES for 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea is CC(NC(=O)NC1CCN(c2nc3ccccc3s2)CC1)c1cccs1.
What is the InChIKey of 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea?
The InChIKey is FIDGCDYGNXZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4OS2/c1-13(16-7-4-12-25-16)20-18(24)21-14-8-10-23(11-9-14)19-22-15-5-2-3-6-17(15)26-19/h2-7,12-14H,8-11H2,1H3,(H2,20,21,24).
What are the key properties of 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea?
1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea has a molecular weight of 386.55 g/mol, XLogP of 4.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,3-benzothiazol-2-yl)piperidin-4-yl]-3-(1-thiophen-2-ylethyl)urea is sourced from PubChem (CID 6490733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).