N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide

C10H16ClN3OS — CID 106117656

IUPACN-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1cnns1
InChIInChI=1S/C10H16ClN3OS/c1-2-3-8(4-5-11)6-12-10(15)9-7-13-14-16-9/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyNIQVDAOJXRBSAB-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.31
Rot. Bonds7

About N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide

N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide (PubChem CID 106117656) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
PubChem CID106117656
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC NameN-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
SMILESCCCC(CCCl)CNC(=O)c1cnns1
InChIInChI=1S/C10H16ClN3OS/c1-2-3-8(4-5-11)6-12-10(15)9-7-13-14-16-9/h7-8H,2-6H2,1H3,(H,12,15)
InChIKeyNIQVDAOJXRBSAB-UHFFFAOYSA-N
XLogP2.31
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.31
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

5-chloro-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117523
N-(2-aminobutyl)thiadiazole-5-carboxamide
CID 63733239
4,5-dibromo-N-[2-(2-chloroethyl)pentyl]thiophene-2-carboxamide
CID 106117550
4-tert-butyl-N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide
CID 106117745
N-(3-methyl-2-propan-2-ylbutyl)thiadiazole-5-carboxamide
CID 102914845
N-[(2R)-2-(ethylamino)propyl]thiadiazole-5-carboxamide;hydrochloride
CID 120651512
N-[2-(2-chloroethyl)pentyl]-1-methylpyrazole-4-carboxamide
CID 106117785
5-methyl-3-[(thiadiazole-5-carbonylamino)methyl]hexanoic acid
CID 65493699
N-[2-(2-chloroethyl)pentyl]-3,6-dimethylpyridazine-4-carboxamide
CID 114145698
N-[2-(2-chloroethyl)pentyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 106117620
N-[2-(2-chloroethyl)pentyl]-1H-pyrazole-5-carboxamide
CID 106117591
N-(2-bromo-4-methylpentyl)thiadiazole-5-carboxamide
CID 107157654

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide?
The IUPAC name of N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide (CID 106117656) is N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide.
What is the SMILES notation for N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide?
The canonical SMILES for N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide is CCCC(CCCl)CNC(=O)c1cnns1.
What is the InChIKey of N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide?
The InChIKey is NIQVDAOJXRBSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-2-3-8(4-5-11)6-12-10(15)9-7-13-14-16-9/h7-8H,2-6H2,1H3,(H,12,15).
What are the key properties of N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide?
N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide has a molecular weight of 261.78 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroethyl)pentyl]thiadiazole-5-carboxamide is sourced from PubChem (CID 106117656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).