N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide

C14H14N6O2S — CID 146144622

IUPACN-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CC(n2cc(CO)nn2)C1
InChIInChI=1S/C14H14N6O2S/c21-8-9-5-20(18-17-9)10-6-19(7-10)14(22)16-13-15-11-3-1-2-4-12(11)23-13/h1-5,10,21H,6-8H2,(H,15,16,22)
InChIKeyPNFSYFNFRKYZPP-UHFFFAOYSA-N
MW330.37 g/mol
LogP1.47
Rot. Bonds3

About N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide

N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide (PubChem CID 146144622) has the molecular formula C14H14N6O2S and a molecular weight of 330.37 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide
PubChem CID146144622
Molecular FormulaC14H14N6O2S
Molecular Weight330.37 g/mol
Exact Mass330.09
IUPAC NameN-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide
SMILESO=C(Nc1nc2ccccc2s1)N1CC(n2cc(CO)nn2)C1
InChIInChI=1S/C14H14N6O2S/c21-8-9-5-20(18-17-9)10-6-19(7-10)14(22)16-13-15-11-3-1-2-4-12(11)23-13/h1-5,10,21H,6-8H2,(H,15,16,22)
InChIKeyPNFSYFNFRKYZPP-UHFFFAOYSA-N
XLogP1.47
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 46699373
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CID 75418516
N-(1,3-benzothiazol-2-yl)-4-(dimethylamino)piperidine-1-carboxamide
CID 51078799
(2S)-N-(1,3-benzothiazol-2-yl)-2-propan-2-ylthiomorpholine-4-carboxamide
CID 99817572
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CID 591706
1-N,4-N-bis(1,3-benzothiazol-2-yl)cyclohexane-1,4-dicarboxamide
CID 171722456
N-(1,3-benzothiazol-2-yl)-4-(4-hydroxybenzoyl)piperidine-1-carboxamide
CID 51324893
N-(1,3-benzothiazol-2-yl)morpholine-4-carboxamide;thiocyanic acid
CID 172824956
1-[1-(phenylcarbamoyl)azetidin-3-yl]triazole-4-carboxylic acid
CID 79312333
1-(1,3-benzothiazol-2-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 47018268
N-(1,3-benzothiazol-2-yl)-4-(thiophen-3-ylmethyl)piperazine-1-carboxamide
CID 30269694
3-amino-N-(1,3-benzothiazol-2-yl)-3-sulfanylidenepropanamide
CID 43120469

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide (CID 146144622) is N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide is O=C(Nc1nc2ccccc2s1)N1CC(n2cc(CO)nn2)C1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide?
The InChIKey is PNFSYFNFRKYZPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O2S/c21-8-9-5-20(18-17-9)10-6-19(7-10)14(22)16-13-15-11-3-1-2-4-12(11)23-13/h1-5,10,21H,6-8H2,(H,15,16,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide?
N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide has a molecular weight of 330.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-3-[4-(hydroxymethyl)triazol-1-yl]azetidine-1-carboxamide is sourced from PubChem (CID 146144622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).