1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine

C11H11BrN2S2 — CID 116969864

IUPAC1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2nc(-c3cc(Br)cs3)cs2)CC1
InChIInChI=1S/C11H11BrN2S2/c12-7-3-9(15-5-7)8-6-16-10(14-8)4-11(13)1-2-11/h3,5-6H,1-2,4,13H2
InChIKeyKUVZUICWDHMGHX-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.67
Rot. Bonds3

About 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine

1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine (PubChem CID 116969864) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine.

Molecular Properties

Compound Name1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
PubChem CID116969864
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC Name1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
SMILESNC1(Cc2nc(-c3cc(Br)cs3)cs2)CC1
InChIInChI=1S/C11H11BrN2S2/c12-7-3-9(15-5-7)8-6-16-10(14-8)4-11(13)1-2-11/h3,5-6H,1-2,4,13H2
InChIKeyKUVZUICWDHMGHX-UHFFFAOYSA-N
XLogP3.67
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
The IUPAC name of 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine (CID 116969864) is 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine.
What is the SMILES notation for 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
The canonical SMILES for 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine is NC1(Cc2nc(-c3cc(Br)cs3)cs2)CC1.
What is the InChIKey of 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
The InChIKey is KUVZUICWDHMGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c12-7-3-9(15-5-7)8-6-16-10(14-8)4-11(13)1-2-11/h3,5-6H,1-2,4,13H2.
What are the key properties of 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine?
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine has a molecular weight of 315.26 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine is sourced from PubChem (CID 116969864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).