N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

C11H11BrN2S2 — CID 115380884

IUPACN-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESBrc1ccsc1C(NC1CC1)c1nccs1
InChIInChI=1S/C11H11BrN2S2/c12-8-3-5-15-10(8)9(14-7-1-2-7)11-13-4-6-16-11/h3-7,9,14H,1-2H2
InChIKeyBYGKCEVMHFNGSJ-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.81
Rot. Bonds4

About N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 115380884) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID115380884
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC NameN-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESBrc1ccsc1C(NC1CC1)c1nccs1
InChIInChI=1S/C11H11BrN2S2/c12-8-3-5-15-10(8)9(14-7-1-2-7)11-13-4-6-16-11/h3-7,9,14H,1-2H2
InChIKeyBYGKCEVMHFNGSJ-UHFFFAOYSA-N
XLogP3.81
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 115380884) is N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is Brc1ccsc1C(NC1CC1)c1nccs1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is BYGKCEVMHFNGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c12-8-3-5-15-10(8)9(14-7-1-2-7)11-13-4-6-16-11/h3-7,9,14H,1-2H2.
What are the key properties of N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 315.26 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 115380884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).