(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

C11H13BrN2S2 — CID 61347398

IUPAC(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)c2ccc(Br)s2)n1
InChIInChI=1S/C11H13BrN2S2/c1-6(2)7-5-15-11(14-7)10(13)8-3-4-9(12)16-8/h3-6,10H,13H2,1-2H3
InChIKeyHNTJXNVTKSKPLZ-UHFFFAOYSA-N
MW317.28 g/mol
LogP4.14
Rot. Bonds3

About (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine

(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 61347398) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID61347398
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC Name(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)c2ccc(Br)s2)n1
InChIInChI=1S/C11H13BrN2S2/c1-6(2)7-5-15-11(14-7)10(13)8-3-4-9(12)16-8/h3-6,10H,13H2,1-2H3
InChIKeyHNTJXNVTKSKPLZ-UHFFFAOYSA-N
XLogP4.14
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
(5-bromothiophen-2-yl)-(1,3-thiazol-2-yl)methanamine
CID 61347211
(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
(1-ethylpyrazol-4-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 103570173
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 54980335
(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 62133738
(5-bromothiophen-2-yl)-(5-methylthiophen-3-yl)methanamine
CID 65104934
(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61330680
2,4-di(propan-2-yl)-1,3-thiazole;2,4-di(propan-2-yl)thiophene;2,5-di(propan-2-yl)thiophene;methane
CID 161353337
(3-bromothiophen-2-yl)-(5-bromothiophen-2-yl)methanamine
CID 63798269

Frequently Asked Questions

What is the IUPAC name of (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 61347398) is (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CC(C)c1csc(C(N)c2ccc(Br)s2)n1.
What is the InChIKey of (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is HNTJXNVTKSKPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-6(2)7-5-15-11(14-7)10(13)8-3-4-9(12)16-8/h3-6,10H,13H2,1-2H3.
What are the key properties of (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 317.28 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 61347398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).