N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

C10H20N4S — CID 65270558

IUPACN',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCC(CN)CN(C)c1nc(C(C)C)ns1
InChIInChI=1S/C10H20N4S/c1-7(2)9-12-10(15-13-9)14(4)6-8(3)5-11/h7-8H,5-6,11H2,1-4H3
InChIKeyVYCVFXBELDYHSS-UHFFFAOYSA-N
MW228.36 g/mol
LogP1.69
Rot. Bonds5

About N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine

N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (PubChem CID 65270558) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
PubChem CID65270558
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
SMILESCC(CN)CN(C)c1nc(C(C)C)ns1
InChIInChI=1S/C10H20N4S/c1-7(2)9-12-10(15-13-9)14(4)6-8(3)5-11/h7-8H,5-6,11H2,1-4H3
InChIKeyVYCVFXBELDYHSS-UHFFFAOYSA-N
XLogP1.69
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-chloropropyl)-N-methyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65278099
N'-(2,2-difluoroethyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 107494081
N',2-dimethyl-N'-(6-methyl-2-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 54991803
methyl 4-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]butanoate
CID 65274920
N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-N'-propylpropane-1,3-diamine
CID 65270336
N-(2-chloropropyl)-N,3-dimethyl-1,2,4-thiadiazol-5-amine
CID 65273171
2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanoic acid
CID 65270725
3-[2-methylpropyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propanenitrile
CID 65272434
N',2-dimethyl-N'-pyrazolo[1,5-a]pyrimidin-5-ylpropane-1,3-diamine
CID 115372172
N-(5-methyl-1,2-oxazol-3-yl)-2-[methyl-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]acetamide
CID 133359021
N'-(4-methoxyphenyl)-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine
CID 65270852
N',2-dimethyl-N'-(4-methylpyrimidin-2-yl)propane-1,3-diamine
CID 62960170

Frequently Asked Questions

What is the IUPAC name of N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The IUPAC name of N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine (CID 65270558) is N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is CC(CN)CN(C)c1nc(C(C)C)ns1.
What is the InChIKey of N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
The InChIKey is VYCVFXBELDYHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-7(2)9-12-10(15-13-9)14(4)6-8(3)5-11/h7-8H,5-6,11H2,1-4H3.
What are the key properties of N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine?
N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine has a molecular weight of 228.36 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethyl-N'-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 65270558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).