2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine

C10H19N3S2 — CID 62576391

IUPAC2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine
SMILESCc1nnc(SC(C)CNCC(C)C)s1
InChIInChI=1S/C10H19N3S2/c1-7(2)5-11-6-8(3)14-10-13-12-9(4)15-10/h7-8,11H,5-6H2,1-4H3
InChIKeyJCBAIDOEJXABEF-UHFFFAOYSA-N
MW245.42 g/mol
LogP2.57
Rot. Bonds6

About 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine

2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine (PubChem CID 62576391) has the molecular formula C10H19N3S2 and a molecular weight of 245.42 g/mol. Its IUPAC name is 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine
PubChem CID62576391
Molecular FormulaC10H19N3S2
Molecular Weight245.42 g/mol
Exact Mass245.10
IUPAC Name2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine
SMILESCc1nnc(SC(C)CNCC(C)C)s1
InChIInChI=1S/C10H19N3S2/c1-7(2)5-11-6-8(3)14-10-13-12-9(4)15-10/h7-8,11H,5-6H2,1-4H3
InChIKeyJCBAIDOEJXABEF-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine (CID 62576391) is 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine is Cc1nnc(SC(C)CNCC(C)C)s1.
What is the InChIKey of 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
The InChIKey is JCBAIDOEJXABEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S2/c1-7(2)5-11-6-8(3)14-10-13-12-9(4)15-10/h7-8,11H,5-6H2,1-4H3.
What are the key properties of 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine?
2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine has a molecular weight of 245.42 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]propan-1-amine is sourced from PubChem (CID 62576391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).