5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine

C9H14BrN3S — CID 64622216

IUPAC5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(CC1CC1)c1nnc(Br)s1
InChIInChI=1S/C9H14BrN3S/c1-2-5-13(6-7-3-4-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3
InChIKeyDXKHTZWBFRVSJV-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.93
Rot. Bonds5

About 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine

5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine (PubChem CID 64622216) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
PubChem CID64622216
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine
SMILESCCCN(CC1CC1)c1nnc(Br)s1
InChIInChI=1S/C9H14BrN3S/c1-2-5-13(6-7-3-4-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3
InChIKeyDXKHTZWBFRVSJV-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine (CID 64622216) is 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine is CCCN(CC1CC1)c1nnc(Br)s1.
What is the InChIKey of 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
The InChIKey is DXKHTZWBFRVSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c1-2-5-13(6-7-3-4-7)9-12-11-8(10)14-9/h7H,2-6H2,1H3.
What are the key properties of 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine?
5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine has a molecular weight of 276.20 g/mol, XLogP of 2.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(cyclopropylmethyl)-N-propyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).