5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

C10H10BrN3OS — CID 64622852

IUPAC5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(N(Cc2ccco2)C2CC2)s1
InChIInChI=1S/C10H10BrN3OS/c11-9-12-13-10(16-9)14(7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2
InChIKeyLGCRSONYLMKUDY-UHFFFAOYSA-N
MW300.18 g/mol
LogP3.06
Rot. Bonds4

About 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine

5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 64622852) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
PubChem CID64622852
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
SMILESBrc1nnc(N(Cc2ccco2)C2CC2)s1
InChIInChI=1S/C10H10BrN3OS/c11-9-12-13-10(16-9)14(7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2
InChIKeyLGCRSONYLMKUDY-UHFFFAOYSA-N
XLogP3.06
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cyclopropyl(furan-2-ylmethyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62753529
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylpyridin-2-amine
CID 115773896
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 55031150
2-[(5-bromo-1,3,4-thiadiazol-2-yl)-cyclopropylamino]ethanol
CID 64624732
N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 62753288
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80814460
2-chloro-N-cyclopropyl-N-(furan-2-ylmethyl)pyrimidin-4-amine
CID 62343468
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
CID 103137838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine (CID 64622852) is 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine is Brc1nnc(N(Cc2ccco2)C2CC2)s1.
What is the InChIKey of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is LGCRSONYLMKUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-9-12-13-10(16-9)14(7-3-4-7)6-8-2-1-5-15-8/h1-2,5,7H,3-4,6H2.
What are the key properties of 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine?
5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cyclopropyl-N-(furan-2-ylmethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 64622852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).