5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine

C14H16BrN3S — CID 103361490

IUPAC5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1cccc(Br)c1)c1snc(N)c1C1CC1
InChIInChI=1S/C14H16BrN3S/c1-18(8-9-3-2-4-11(15)7-9)14-12(10-5-6-10)13(16)17-19-14/h2-4,7,10H,5-6,8H2,1H3,(H2,16,17)
InChIKeyCZEHKGOBCOEWDQ-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.00
Rot. Bonds4

About 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine

5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine (PubChem CID 103361490) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
PubChem CID103361490
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine
SMILESCN(Cc1cccc(Br)c1)c1snc(N)c1C1CC1
InChIInChI=1S/C14H16BrN3S/c1-18(8-9-3-2-4-11(15)7-9)14-12(10-5-6-10)13(16)17-19-14/h2-4,7,10H,5-6,8H2,1H3,(H2,16,17)
InChIKeyCZEHKGOBCOEWDQ-UHFFFAOYSA-N
XLogP4.00
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine (CID 103361490) is 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine is CN(Cc1cccc(Br)c1)c1snc(N)c1C1CC1.
What is the InChIKey of 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine?
The InChIKey is CZEHKGOBCOEWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-18(8-9-3-2-4-11(15)7-9)14-12(10-5-6-10)13(16)17-19-14/h2-4,7,10H,5-6,8H2,1H3,(H2,16,17).
What are the key properties of 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine?
5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine has a molecular weight of 338.27 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[(3-bromophenyl)methyl]-4-cyclopropyl-5-N-methyl-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103361490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).