N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

C15H18N8OS — CID 133268568

IUPACN-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESO=C(NCCCc1nc2ccccc2s1)C1CNNC1n1cnnn1
InChIInChI=1S/C15H18N8OS/c24-15(10-8-17-20-14(10)23-9-18-21-22-23)16-7-3-6-13-19-11-4-1-2-5-12(11)25-13/h1-2,4-5,9-10,14,17,20H,3,6-8H2,(H,16,24)
InChIKeyMFLOBBDSRVXXJM-UHFFFAOYSA-N
MW358.43 g/mol
LogP0.25
Rot. Bonds6

About N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide

N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (PubChem CID 133268568) has the molecular formula C15H18N8OS and a molecular weight of 358.43 g/mol. Its IUPAC name is N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.

Molecular Properties

Compound NameN-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
PubChem CID133268568
Molecular FormulaC15H18N8OS
Molecular Weight358.43 g/mol
Exact Mass358.13
IUPAC NameN-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide
SMILESO=C(NCCCc1nc2ccccc2s1)C1CNNC1n1cnnn1
InChIInChI=1S/C15H18N8OS/c24-15(10-8-17-20-14(10)23-9-18-21-22-23)16-7-3-6-13-19-11-4-1-2-5-12(11)25-13/h1-2,4-5,9-10,14,17,20H,3,6-8H2,(H,16,24)
InChIKeyMFLOBBDSRVXXJM-UHFFFAOYSA-N
XLogP0.25
TPSA109.65 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.43
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1,3-benzothiazol-2-yl)propyl]-2,5-dihydro-1H-pyrrole-2-carboxamide;hydrochloride
CID 154910288
N-[3-(1,3-benzothiazol-2-yl)propyl]-4-(cyclopentanecarbonyl)piperazine-1-carboxamide
CID 78886438
N-[3-(1,3-benzothiazol-2-yl)propyl]-N',3,5-trimethylpiperidine-1-carboximidamide;hydroiodide
CID 111153089
(3R)-N-[3-(1,3-benzothiazol-2-yl)propyl]-5-oxo-1-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 97286304
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 118770019
N-[3-(1,3-benzothiazol-2-yl)propyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 38901679
N-[3-(1,3-benzothiazol-2-yl)propyl]pyrazine-2-carboxamide
CID 46426584
1-[3-(1,3-benzothiazol-2-yl)propyl]-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]urea
CID 78886439
(3S,5R)-N-[2-(1,3-benzothiazol-2-yl)ethyl]-5-(morpholine-4-carbonyl)piperidine-3-carboxamide
CID 133115531
2-(1,3-benzothiazol-2-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 54867516
N-(1,3-benzothiazol-2-ylmethyl)-2-hydroxycyclopentane-1-carboxamide
CID 110013892
N-[2-(1,3-benzothiazol-2-yl)ethyl]oxane-4-carboxamide
CID 51207996

Frequently Asked Questions

What is the IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The IUPAC name of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide (CID 133268568) is N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide.
What is the SMILES notation for N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The canonical SMILES for N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is O=C(NCCCc1nc2ccccc2s1)C1CNNC1n1cnnn1.
What is the InChIKey of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
The InChIKey is MFLOBBDSRVXXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N8OS/c24-15(10-8-17-20-14(10)23-9-18-21-22-23)16-7-3-6-13-19-11-4-1-2-5-12(11)25-13/h1-2,4-5,9-10,14,17,20H,3,6-8H2,(H,16,24).
What are the key properties of N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide?
N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide has a molecular weight of 358.43 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1,3-benzothiazol-2-yl)propyl]-3-(tetrazol-1-yl)pyrazolidine-4-carboxamide is sourced from PubChem (CID 133268568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).