N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine

C7H11BrN2S — CID 117192655

IUPACN-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Br)s1
InChIInChI=1S/C7H11BrN2S/c1-5(2)9-3-6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3
InChIKeyUYPNIEAWWZLMQL-UHFFFAOYSA-N
MW235.15 g/mol
LogP2.40
Rot. Bonds3

About N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine

N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine (PubChem CID 117192655) has the molecular formula C7H11BrN2S and a molecular weight of 235.15 g/mol. Its IUPAC name is N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
PubChem CID117192655
Molecular FormulaC7H11BrN2S
Molecular Weight235.15 g/mol
Exact Mass233.98
IUPAC NameN-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnc(Br)s1
InChIInChI=1S/C7H11BrN2S/c1-5(2)9-3-6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3
InChIKeyUYPNIEAWWZLMQL-UHFFFAOYSA-N
XLogP2.40
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-bromo-1,3-thiazol-5-yl)methyl]-2-methylpropan-1-amine
CID 86691018
1-(2-bromo-1,3-thiazol-5-yl)-N-chloromethanamine
CID 89060823
N-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 64984724
N-[[2-(1-methoxy-2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116727637
N-[[2-(2-bromo-5-chlorophenyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 66158910
N-butan-2-yl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62750265
N-[[2-(5-methyl-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 81313265
N-[[2-(2,6-dimethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 107504208
N-[(2-pyrazin-2-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 61281155
N-[(2-pyrimidin-4-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63986645
4-N-[(2-bromo-1,3-thiazol-5-yl)methyl]-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 56654545
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62753618

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine?
The IUPAC name of N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine (CID 117192655) is N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine is CC(C)NCc1cnc(Br)s1.
What is the InChIKey of N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine?
The InChIKey is UYPNIEAWWZLMQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2S/c1-5(2)9-3-6-4-10-7(8)11-6/h4-5,9H,3H2,1-2H3.
What are the key properties of N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine?
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine has a molecular weight of 235.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine is sourced from PubChem (CID 117192655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).