[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine

C9H13BrN2S — CID 178197458

IUPAC[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1ncc(Br)s1
InChIInChI=1S/C9H13BrN2S/c1-9(2)5(3-11)7(9)8-12-4-6(10)13-8/h4-5,7H,3,11H2,1-2H3/t5-,7+/m1/s1
InChIKeyCSJNXTLPJIHJPM-VDTYLAMSSA-N
MW261.19 g/mol
LogP2.60
Rot. Bonds2

About [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine

[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine (PubChem CID 178197458) has the molecular formula C9H13BrN2S and a molecular weight of 261.19 g/mol. Its IUPAC name is [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine.

Molecular Properties

Compound Name[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine
PubChem CID178197458
Molecular FormulaC9H13BrN2S
Molecular Weight261.19 g/mol
Exact Mass260.00
IUPAC Name[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine
SMILESCC1(C)[C@H](CN)[C@H]1c1ncc(Br)s1
InChIInChI=1S/C9H13BrN2S/c1-9(2)5(3-11)7(9)8-12-4-6(10)13-8/h4-5,7H,3,11H2,1-2H3/t5-,7+/m1/s1
InChIKeyCSJNXTLPJIHJPM-VDTYLAMSSA-N
XLogP2.60
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.19
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Bromo-1,3-thiazol-2-yl)piperidine
CID 45788819
5-Bromo-2-(1-methyl-4-piperidyl)thiazole
CID 58293759
(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 58846279
5-(5-Bromo-1,3-thiazol-2-yl)pentan-1-amine
CID 69115311
trans-4-(5-Bromothiazol-2-yl)cyclohexan-1-amine
CID 83693615
(2R)-N-bromo-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine
CID 89366108
5-Bromo-2-(3-methylbutan-2-yl)-1,3-thiazole
CID 123517175
1-[(1R)-1-(5-bromo-1,3-thiazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 141643693
5-Bromo-2-(3-methylcyclobutyl)-1,3-thiazole
CID 154982286
5-Bromo-2-heptan-4-yl-1,3-thiazole
CID 155693591
(2R)-3-methyl-2-(1,3-thiazol-2-ylmethyl)butan-1-amine;hydrobromide
CID 161142137
3-(5-Bromo-1,3-thiazol-2-yl)bicyclo[1.1.1]pentan-1-amine
CID 167081567

Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine?
The IUPAC name of [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine (CID 178197458) is [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine.
What is the SMILES notation for [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine?
The canonical SMILES for [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine is CC1(C)[C@H](CN)[C@H]1c1ncc(Br)s1.
What is the InChIKey of [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine?
The InChIKey is CSJNXTLPJIHJPM-VDTYLAMSSA-N. The full InChI is InChI=1S/C9H13BrN2S/c1-9(2)5(3-11)7(9)8-12-4-6(10)13-8/h4-5,7H,3,11H2,1-2H3/t5-,7+/m1/s1.
What are the key properties of [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine?
[(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine has a molecular weight of 261.19 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-(5-bromo-1,3-thiazol-2-yl)-2,2-dimethylcyclopropyl]methanamine is sourced from PubChem (CID 178197458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).