3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide

C12H22N4OS — CID 65276904

IUPAC3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H22N4OS/c1-5-7-13-9(17)6-8-14-11-15-10(16-18-11)12(2,3)4/h5-8H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyPTICNTXBQWFDKD-UHFFFAOYSA-N
MW270.40 g/mol
LogP2.16
Rot. Bonds6

About 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide

3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide (PubChem CID 65276904) has the molecular formula C12H22N4OS and a molecular weight of 270.40 g/mol. Its IUPAC name is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
PubChem CID65276904
Molecular FormulaC12H22N4OS
Molecular Weight270.40 g/mol
Exact Mass270.15
IUPAC Name3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(C(C)(C)C)ns1
InChIInChI=1S/C12H22N4OS/c1-5-7-13-9(17)6-8-14-11-15-10(16-18-11)12(2,3)4/h5-8H2,1-4H3,(H,13,17)(H,14,15,16)
InChIKeyPTICNTXBQWFDKD-UHFFFAOYSA-N
XLogP2.16
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(3-tert-butyl-1,2,4-thiadiazol-5-yl)-N-methylethane-1,2-diamine
CID 65276265
2-[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]-N-propylacetamide
CID 65271224
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
3-tert-butyl-N-(3-ethoxypropyl)-1,2,4-thiadiazol-5-amine
CID 65271490
3-[(3-amino-4-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 103360319
3-[(4-acetyl-3-methyl-1,2-thiazol-5-yl)amino]-N-propylpropanamide
CID 79364484
2-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]butanoic acid
CID 65273610
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257
3-amino-3-methyl-N-[3-oxo-3-(propylamino)propyl]butanamide
CID 64678840
3-[(6-chloro-1,3-benzothiazol-2-yl)amino]-N-propylpropanamide
CID 79525880
methyl 3-amino-5-[[3-oxo-3-(propylamino)propyl]amino]-1,2-thiazole-4-carboxylate
CID 103379325
3-tert-butyl-N-[2-(5-chlorothiophen-2-yl)ethyl]-1,2,4-thiadiazol-5-amine
CID 106048779

Frequently Asked Questions

What is the IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The IUPAC name of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide (CID 65276904) is 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide.
What is the SMILES notation for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The canonical SMILES for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(C(C)(C)C)ns1.
What is the InChIKey of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
The InChIKey is PTICNTXBQWFDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4OS/c1-5-7-13-9(17)6-8-14-11-15-10(16-18-11)12(2,3)4/h5-8H2,1-4H3,(H,13,17)(H,14,15,16).
What are the key properties of 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide?
3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide has a molecular weight of 270.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-tert-butyl-1,2,4-thiadiazol-5-yl)amino]-N-propylpropanamide is sourced from PubChem (CID 65276904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).