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

C11H11BrN2S2 — CID 116965509

IUPAC3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3cc(Br)cs3)cs2)C1
InChIInChI=1S/C11H11BrN2S2/c12-7-3-10(15-4-7)9-5-16-11(14-9)6-1-8(13)2-6/h3-6,8H,1-2,13H2
InChIKeyFYUMSVXSCWNSAU-UHFFFAOYSA-N
MW315.26 g/mol
LogP3.84
Rot. Bonds2

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

3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine (PubChem CID 116965509) has the molecular formula C11H11BrN2S2 and a molecular weight of 315.26 g/mol. Its IUPAC name is 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
PubChem CID116965509
Molecular FormulaC11H11BrN2S2
Molecular Weight315.26 g/mol
Exact Mass313.95
IUPAC Name3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine
SMILESNC1CC(c2nc(-c3cc(Br)cs3)cs2)C1
InChIInChI=1S/C11H11BrN2S2/c12-7-3-10(15-4-7)9-5-16-11(14-9)6-1-8(13)2-6/h3-6,8H,1-2,13H2
InChIKeyFYUMSVXSCWNSAU-UHFFFAOYSA-N
XLogP3.84
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.26
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromothiophen-2-yl)-2-piperidin-4-yl-1,3-thiazole
CID 107354701
4-(4-bromothiophen-2-yl)-2-pyrrolidin-3-yl-1,3-thiazole
CID 116965371
3-(4-thiophen-2-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965488
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)cyclobutan-1-amine
CID 116965519
3-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]cyclobutan-1-amine
CID 116965515
3-amino-N-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclohexane-1-carboxamide
CID 119785268
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]ethanethiol
CID 116965991
1-[[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]methyl]cyclopropan-1-amine
CID 116969864
3-[2-(oxan-4-yl)-1,3-thiazol-4-yl]cyclobutan-1-amine
CID 116888938
cis-(1S,3R)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine;trans-(1S,3S)-3-(4-phenyl-1,3-thiazol-2-yl)cyclopentan-1-amine
CID 160876170
2-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]propan-1-amine
CID 107354708
1-[4-(4-bromothiophen-2-yl)pyrimidin-2-yl]piperidin-4-amine
CID 107355306

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine (CID 116965509) is 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine is NC1CC(c2nc(-c3cc(Br)cs3)cs2)C1.
What is the InChIKey of 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
The InChIKey is FYUMSVXSCWNSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN2S2/c12-7-3-10(15-4-7)9-5-16-11(14-9)6-1-8(13)2-6/h3-6,8H,1-2,13H2.
What are the key properties of 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine?
3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine has a molecular weight of 315.26 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-bromothiophen-2-yl)-1,3-thiazol-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116965509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).