(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

C10H15BrN2S — CID 164642382

IUPAC(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CN[C@@H](C)C1(Br)CC1
InChIInChI=1S/C10H15BrN2S/c1-7-9(14-6-13-7)5-12-8(2)10(11)3-4-10/h6,8,12H,3-5H2,1-2H3/t8-/m0/s1
InChIKeySUYQFWGTYFKURZ-QMMMGPOBSA-N
MW275.21 g/mol
LogP2.86
Rot. Bonds4

About (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine

(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (PubChem CID 164642382) has the molecular formula C10H15BrN2S and a molecular weight of 275.21 g/mol. Its IUPAC name is (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
PubChem CID164642382
Molecular FormulaC10H15BrN2S
Molecular Weight275.21 g/mol
Exact Mass274.01
IUPAC Name(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
SMILESCc1ncsc1CN[C@@H](C)C1(Br)CC1
InChIInChI=1S/C10H15BrN2S/c1-7-9(14-6-13-7)5-12-8(2)10(11)3-4-10/h6,8,12H,3-5H2,1-2H3/t8-/m0/s1
InChIKeySUYQFWGTYFKURZ-QMMMGPOBSA-N
XLogP2.86
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.21
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 95377617
N-[(4-methyl-1,3-thiazol-5-yl)methyl]but-3-en-2-amine
CID 115691099
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108
1,1-di(cyclobutyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 114274461
(1R)-1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81403760
1-(furan-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 63280404
1-(4-bromothiophen-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 107167418
(1S)-1-(2-bromophenyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81383017
(1S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethanamine
CID 81398219
4-methylsulfanyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]butan-2-amine
CID 115654323
1-(2-methylpropoxy)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 115653493

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine (CID 164642382) is (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is Cc1ncsc1CN[C@@H](C)C1(Br)CC1.
What is the InChIKey of (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
The InChIKey is SUYQFWGTYFKURZ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BrN2S/c1-7-9(14-6-13-7)5-12-8(2)10(11)3-4-10/h6,8,12H,3-5H2,1-2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine?
(1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine has a molecular weight of 275.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-bromocyclopropyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 164642382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).