N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide

C9H14BrN3OS — CID 114308874

IUPACN-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(C)Br
InChIInChI=1S/C9H14BrN3OS/c1-3-4-7-8(15-13-12-7)9(14)11-5-6(2)10/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyKGNRUCCANPLXNY-UHFFFAOYSA-N
MW292.20 g/mol
LogP2.00
Rot. Bonds5

About N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide

N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide (PubChem CID 114308874) has the molecular formula C9H14BrN3OS and a molecular weight of 292.20 g/mol. Its IUPAC name is N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
PubChem CID114308874
Molecular FormulaC9H14BrN3OS
Molecular Weight292.20 g/mol
Exact Mass291.00
IUPAC NameN-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NCC(C)Br
InChIInChI=1S/C9H14BrN3OS/c1-3-4-7-8(15-13-12-7)9(14)11-5-6(2)10/h6H,3-5H2,1-2H3,(H,11,14)
InChIKeyKGNRUCCANPLXNY-UHFFFAOYSA-N
XLogP2.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.20
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromobutyl)-4-propylthiadiazole-5-carboxamide
CID 114312667
N-(3-amino-2-methyl-3-sulfanylidenepropyl)-4-propylthiadiazole-5-carboxamide
CID 65205425
N-(2,2-dimethoxyethyl)-4-propylthiadiazole-5-carboxamide
CID 65204874
N-(3-bromo-4-methoxybutyl)-4-propylthiadiazole-5-carboxamide
CID 106244987
N-(2-bromo-3-ethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 106288343
3-[(4-ethylthiadiazole-5-carbonyl)amino]-2-methylpropanoic acid
CID 65206183
4-ethyl-N-[2-(methylamino)propyl]thiadiazole-5-carboxamide
CID 120831305
N-(6-hydroxyhexyl)-4-propylthiadiazole-5-carboxamide
CID 107843629
N-(2-bromo-4,4-dimethylpentyl)-4-ethylthiadiazole-5-carboxamide
CID 107156459
5-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205051
(2S,3S)-3-methyl-2-[(4-propylthiadiazole-5-carbonyl)amino]pentanoic acid
CID 65205940
N-(5-chloropentan-2-yl)-4-propylthiadiazole-5-carboxamide
CID 114305945

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide (CID 114308874) is N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NCC(C)Br.
What is the InChIKey of N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is KGNRUCCANPLXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3OS/c1-3-4-7-8(15-13-12-7)9(14)11-5-6(2)10/h6H,3-5H2,1-2H3,(H,11,14).
What are the key properties of N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide?
N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 292.20 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 114308874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).