N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C15H19BrN2OS — CID 114366575

IUPACN-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2cccc(Br)c2)sc1CNC(C)C
InChIInChI=1S/C15H19BrN2OS/c1-10(2)17-8-14-13(9-19-3)18-15(20-14)11-5-4-6-12(16)7-11/h4-7,10,17H,8-9H2,1-3H3
InChIKeyOWZKNJYHVLWXAK-UHFFFAOYSA-N
MW355.30 g/mol
LogP4.22
Rot. Bonds6

About N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114366575) has the molecular formula C15H19BrN2OS and a molecular weight of 355.30 g/mol. Its IUPAC name is N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114366575
Molecular FormulaC15H19BrN2OS
Molecular Weight355.30 g/mol
Exact Mass354.04
IUPAC NameN-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCOCc1nc(-c2cccc(Br)c2)sc1CNC(C)C
InChIInChI=1S/C15H19BrN2OS/c1-10(2)17-8-14-13(9-19-3)18-15(20-14)11-5-4-6-12(16)7-11/h4-7,10,17H,8-9H2,1-3H3
InChIKeyOWZKNJYHVLWXAK-UHFFFAOYSA-N
XLogP4.22
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114366575) is N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is COCc1nc(-c2cccc(Br)c2)sc1CNC(C)C.
What is the InChIKey of N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is OWZKNJYHVLWXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2OS/c1-10(2)17-8-14-13(9-19-3)18-15(20-14)11-5-4-6-12(16)7-11/h4-7,10,17H,8-9H2,1-3H3.
What are the key properties of N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 355.30 g/mol, XLogP of 4.22, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromophenyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114366575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).