2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

C11H22N4S — CID 115310912

IUPAC2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCCc1nsc(NC(C)(CN)C(C)C)n1
InChIInChI=1S/C11H22N4S/c1-5-6-9-13-10(16-15-9)14-11(4,7-12)8(2)3/h8H,5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyRCZHUEGDBOUBJI-UHFFFAOYSA-N
MW242.39 g/mol
LogP2.28
Rot. Bonds6

About 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine

2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (PubChem CID 115310912) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
PubChem CID115310912
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine
SMILESCCCc1nsc(NC(C)(CN)C(C)C)n1
InChIInChI=1S/C11H22N4S/c1-5-6-9-13-10(16-15-9)14-11(4,7-12)8(2)3/h8H,5-7,12H2,1-4H3,(H,13,14,15)
InChIKeyRCZHUEGDBOUBJI-UHFFFAOYSA-N
XLogP2.28
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-ethyl-1,2,4-thiadiazol-5-yl)-N'-pentan-3-ylethane-1,2-diamine
CID 125423962
2-ethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305360
3-methyl-1-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305369
3-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305375
2-cyclopropyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]propane-1,2-diamine
CID 107305464
2,4-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]pentane-1,2-diamine
CID 107305469
2,3-dimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107305470
2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 107306255
2-methyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-2,3-diamine
CID 107306298
1-N,1-N,3-trimethyl-2-N-[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]butane-1,2-diamine
CID 113943941
N-(1-fluoro-2-methylpropan-2-yl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 131197493
3-methyl-N-(4-methylpentyl)-1,2,4-thiadiazol-5-amine
CID 65267453

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The IUPAC name of 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine (CID 115310912) is 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine.
What is the SMILES notation for 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The canonical SMILES for 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is CCCc1nsc(NC(C)(CN)C(C)C)n1.
What is the InChIKey of 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
The InChIKey is RCZHUEGDBOUBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-5-6-9-13-10(16-15-9)14-11(4,7-12)8(2)3/h8H,5-7,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine?
2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-(3-propyl-1,2,4-thiadiazol-5-yl)butane-1,2-diamine is sourced from PubChem (CID 115310912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).