3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C10H16ClN3OS — CID 82109868

IUPAC3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)C(C)(C)CCl)s1
InChIInChI=1S/C10H16ClN3OS/c1-4-5-7-13-14-9(16-7)12-8(15)10(2,3)6-11/h4-6H2,1-3H3,(H,12,14,15)
InChIKeyQWQAJBJCFGIOOT-UHFFFAOYSA-N
MW261.78 g/mol
LogP2.69
Rot. Bonds5

About 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 82109868) has the molecular formula C10H16ClN3OS and a molecular weight of 261.78 g/mol. Its IUPAC name is 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID82109868
Molecular FormulaC10H16ClN3OS
Molecular Weight261.78 g/mol
Exact Mass261.07
IUPAC Name3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)C(C)(C)CCl)s1
InChIInChI=1S/C10H16ClN3OS/c1-4-5-7-13-14-9(16-7)12-8(15)10(2,3)6-11/h4-6H2,1-3H3,(H,12,14,15)
InChIKeyQWQAJBJCFGIOOT-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.78
LogP ≤ 52.69
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

2-amino-2-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide;hydrochloride
CID 119270517
2,2-dichloro-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 19189341
2-tert-butylsulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 78792540
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,2-dimethylpropanamide
CID 692810
N-ethyl-N'-(5-propyl-1,3,4-thiadiazol-2-yl)propanediamide
CID 676814
3-hydroxy-N-[5-[4-[5-[[3-hydroxy-2-(hydroxymethyl)-2-methylpropanoyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]-2-(hydroxymethyl)-2-methylpropanamide
CID 74982484
1-butyl-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 47199526
tert-butyl N-[3-oxo-3-[(5-propyl-1,3,4-thiadiazol-2-yl)amino]propyl]carbamate
CID 34111171
N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
N-(5-propyl-1,3,4-thiadiazol-2-yl)azetidine-3-carboxamide
CID 142435171
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037
N-[5-[2-[5-(propanoylamino)-1,3,4-thiadiazol-2-yl]ethyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 2039486

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 82109868) is 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)C(C)(C)CCl)s1.
What is the InChIKey of 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is QWQAJBJCFGIOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3OS/c1-4-5-7-13-14-9(16-7)12-8(15)10(2,3)6-11/h4-6H2,1-3H3,(H,12,14,15).
What are the key properties of 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 261.78 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,2-dimethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 82109868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).