N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine

C11H15BrN2S2 — CID 106049491

IUPACN-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCCc2ccc(Br)s2)S1
InChIInChI=1S/C11H15BrN2S2/c1-2-8-7-14-11(16-8)13-6-5-9-3-4-10(12)15-9/h3-4,8H,2,5-7H2,1H3,(H,13,14)
InChIKeyNUTTUQBMBZPGIU-UHFFFAOYSA-N
MW319.29 g/mol
LogP3.52
Rot. Bonds4

About N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine

N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 106049491) has the molecular formula C11H15BrN2S2 and a molecular weight of 319.29 g/mol. Its IUPAC name is N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID106049491
Molecular FormulaC11H15BrN2S2
Molecular Weight319.29 g/mol
Exact Mass317.99
IUPAC NameN-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CN=C(NCCc2ccc(Br)s2)S1
InChIInChI=1S/C11H15BrN2S2/c1-2-8-7-14-11(16-8)13-6-5-9-3-4-10(12)15-9/h3-4,8H,2,5-7H2,1H3,(H,13,14)
InChIKeyNUTTUQBMBZPGIU-UHFFFAOYSA-N
XLogP3.52
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(5-bromothiophen-2-yl)ethyl]-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106049503
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 106049507
N-[2-(5-bromothiophen-2-yl)ethyl]-5-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 106049510
5-ethyl-N-(3-methylpentan-3-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 106330136
6-(5-bromothiophen-2-yl)-N-tert-butylhexan-1-amine
CID 65306697
2-(5-bromothiophen-2-yl)-N-iodoethanamine
CID 134427981
N-[2-(5-bromothiophen-2-yl)ethyl]-3-cyclopropyl-1,2,4-thiadiazol-5-amine
CID 103736381
4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methyl-5-propylpyrimidine-4,6-diamine
CID 106043147
2-bromo-1-N-[2-(5-bromothiophen-2-yl)ethyl]-5-methylbenzene-1,4-diamine
CID 106037606
5-bromo-4-N-[2-(5-bromothiophen-2-yl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 106043160
N-[2-(5-bromothiophen-2-yl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 114140004
1-[2-(5-bromothiophen-2-yl)ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111863259

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine (CID 106049491) is N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is CCC1CN=C(NCCc2ccc(Br)s2)S1.
What is the InChIKey of N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NUTTUQBMBZPGIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S2/c1-2-8-7-14-11(16-8)13-6-5-9-3-4-10(12)15-9/h3-4,8H,2,5-7H2,1H3,(H,13,14).
What are the key properties of N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine?
N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 319.29 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-bromothiophen-2-yl)ethyl]-5-ethyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 106049491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).