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

C14H19BrN2S2 — CID 61345618

IUPACN-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2cc(Br)cs2)sc1C
InChIInChI=1S/C14H19BrN2S2/c1-5-11-9(4)19-14(17-11)13(16-8(2)3)12-6-10(15)7-18-12/h6-8,13,16H,5H2,1-4H3
InChIKeyYKHHPMGPXANMFA-UHFFFAOYSA-N
MW359.36 g/mol
LogP4.93
Rot. Bonds5

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

N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (PubChem CID 61345618) has the molecular formula C14H19BrN2S2 and a molecular weight of 359.36 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
PubChem CID61345618
Molecular FormulaC14H19BrN2S2
Molecular Weight359.36 g/mol
Exact Mass358.02
IUPAC NameN-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
SMILESCCc1nc(C(NC(C)C)c2cc(Br)cs2)sc1C
InChIInChI=1S/C14H19BrN2S2/c1-5-11-9(4)19-14(17-11)13(16-8(2)3)12-6-10(15)7-18-12/h6-8,13,16H,5H2,1-4H3
InChIKeyYKHHPMGPXANMFA-UHFFFAOYSA-N
XLogP4.93
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]-2-methoxyethanamine
CID 62544442
N-[(3-bromo-4-fluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 61336187
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(2-methylphenyl)methyl]propan-2-amine
CID 61336192
N-[(4-ethyl-5-methyl-1,3-thiazol-2-yl)-(3-fluoro-4-methylphenyl)methyl]propan-2-amine
CID 63649782
N-[(2,3-difluorophenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 63668613
N-[(3-cyclopropylimidazol-4-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 66141042
N-[(5-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 61345428
N-[(3-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 115380872
N-[(4-bromo-3-methylphenyl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-1-amine
CID 66480408
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(5-ethylthiophen-2-yl)methyl]propan-2-amine
CID 62345229
1-(3,5-difluorophenyl)-1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methylmethanamine
CID 106531760
1-(4-ethyl-5-methyl-1,3-thiazol-2-yl)-N-methyl-1-(3,4,5-trifluorophenyl)methanamine
CID 63077170

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine (CID 61345618) is N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is CCc1nc(C(NC(C)C)c2cc(Br)cs2)sc1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
The InChIKey is YKHHPMGPXANMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2S2/c1-5-11-9(4)19-14(17-11)13(16-8(2)3)12-6-10(15)7-18-12/h6-8,13,16H,5H2,1-4H3.
What are the key properties of N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine?
N-[(4-bromothiophen-2-yl)-(4-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine has a molecular weight of 359.36 g/mol, XLogP of 4.93, 5 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-ethyl-5-methyl-1,3-thiazol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 61345618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).