N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

C15H19BrN2S2 — CID 61346227

IUPACN-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)c2cc(Br)cs2)n1
InChIInChI=1S/C15H19BrN2S2/c1-15(2,3)12-8-20-14(18-12)13(17-10-4-5-10)11-6-9(16)7-19-11/h6-8,10,13,17H,4-5H2,1-3H3
InChIKeyVCNJBCTXLIBIQC-UHFFFAOYSA-N
MW371.37 g/mol
LogP5.11
Rot. Bonds4

About N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine

N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (PubChem CID 61346227) has the molecular formula C15H19BrN2S2 and a molecular weight of 371.37 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
PubChem CID61346227
Molecular FormulaC15H19BrN2S2
Molecular Weight371.37 g/mol
Exact Mass370.02
IUPAC NameN-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine
SMILESCC(C)(C)c1csc(C(NC2CC2)c2cc(Br)cs2)n1
InChIInChI=1S/C15H19BrN2S2/c1-15(2,3)12-8-20-14(18-12)13(17-10-4-5-10)11-6-9(16)7-19-11/h6-8,10,13,17H,4-5H2,1-3H3
InChIKeyVCNJBCTXLIBIQC-UHFFFAOYSA-N
XLogP5.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)-(5-methylthiophen-2-yl)methyl]cyclopropanamine
CID 61345604
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(4-chlorophenyl)methyl]cyclopropanamine
CID 61335853
N-[1-(4-bromothiophen-2-yl)ethyl]cyclopropanamine
CID 107167098
N-[(4-tert-butyl-1,3-thiazol-2-yl)-cyclopentylmethyl]cyclopropanamine
CID 62070387
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-2-methylbutyl]cyclopropanamine
CID 61334687
N-[1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxy-3-methylbutyl]cyclopropanamine
CID 106676115
N-[1-(4-bromothiophen-2-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 107167232
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(thiolan-3-yl)methyl]cyclopropanamine
CID 107133309
1-(4-bromothiophen-2-yl)-2-(cyclopropylamino)propan-1-ol
CID 82307094
N-[1-(4-bromothiophen-2-yl)ethyl]thian-4-amine
CID 107167565
1-(4-tert-butyl-1,3-thiazol-2-yl)-1-cyclopentyl-N-methylmethanamine
CID 62071433
N-[1-(4-bromothiophen-2-yl)ethyl]oxan-4-amine
CID 107167286

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine (CID 61346227) is N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is CC(C)(C)c1csc(C(NC2CC2)c2cc(Br)cs2)n1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
The InChIKey is VCNJBCTXLIBIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2S2/c1-15(2,3)12-8-20-14(18-12)13(17-10-4-5-10)11-6-9(16)7-19-11/h6-8,10,13,17H,4-5H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine?
N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine has a molecular weight of 371.37 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)-(4-tert-butyl-1,3-thiazol-2-yl)methyl]cyclopropanamine is sourced from PubChem (CID 61346227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).