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

C7H14N4S — CID 65270086

IUPAC3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine
SMILESCC(CCN)N(C)c1ncns1
InChIInChI=1S/C7H14N4S/c1-6(3-4-8)11(2)7-9-5-10-12-7/h5-6H,3-4,8H2,1-2H3
InChIKeyJJZFWDMPNUZUKE-UHFFFAOYSA-N
MW186.28 g/mol
LogP0.71
Rot. Bonds4

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

3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine (PubChem CID 65270086) has the molecular formula C7H14N4S and a molecular weight of 186.28 g/mol. Its IUPAC name is 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine
PubChem CID65270086
Molecular FormulaC7H14N4S
Molecular Weight186.28 g/mol
Exact Mass186.09
IUPAC Name3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine
SMILESCC(CCN)N(C)c1ncns1
InChIInChI=1S/C7H14N4S/c1-6(3-4-8)11(2)7-9-5-10-12-7/h5-6H,3-4,8H2,1-2H3
InChIKeyJJZFWDMPNUZUKE-UHFFFAOYSA-N
XLogP0.71
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-piperidin-4-yl-1,2,4-thiadiazol-5-amine
CID 65276253
N-(4,4,4-trifluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 104854570
N-(4,4-difluorobutan-2-yl)-1,2,4-thiadiazol-5-amine
CID 130831786
N-(3-fluorobutyl)-1,2,4-thiadiazol-5-amine
CID 131160593
3-(3-Aminopropylamino)-1,2,4-thiadiazole
CID 20557655
1-Methyl-3-[3-(1,2,4-thiadiazol-3-ylamino)propyl]thiourea
CID 20557991
N-pyrrolidin-3-yl-1,2,4-thiadiazol-5-amine
CID 57855164
N-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65268484
N-propyl-1,2,4-thiadiazol-5-amine
CID 65268873
3-N,3-N-dimethyl-5-N-propan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 65269163
N-pentyl-1,2,4-thiadiazol-5-amine
CID 65271368
N-pentyl-1,2,4-thiadiazol-3-amine
CID 67847364

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine (CID 65270086) is 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine is CC(CCN)N(C)c1ncns1.
What is the InChIKey of 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine?
The InChIKey is JJZFWDMPNUZUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4S/c1-6(3-4-8)11(2)7-9-5-10-12-7/h5-6H,3-4,8H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine?
3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine has a molecular weight of 186.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-(1,2,4-thiadiazol-5-yl)butane-1,3-diamine is sourced from PubChem (CID 65270086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).