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

C14H20BrN3S2 — CID 62767879

IUPACN-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)Cc2cc(Br)cs2)sc1CNC
InChIInChI=1S/C14H20BrN3S2/c1-4-5-12-13(7-16-2)20-14(17-12)18(3)8-11-6-10(15)9-19-11/h6,9,16H,4-5,7-8H2,1-3H3
InChIKeyJWSCHDKYDZKAIL-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.28
Rot. Bonds7

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

N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine (PubChem CID 62767879) has the molecular formula C14H20BrN3S2 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
PubChem CID62767879
Molecular FormulaC14H20BrN3S2
Molecular Weight374.37 g/mol
Exact Mass373.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
SMILESCCCc1nc(N(C)Cc2cc(Br)cs2)sc1CNC
InChIInChI=1S/C14H20BrN3S2/c1-4-5-12-13(7-16-2)20-14(17-12)18(3)8-11-6-10(15)9-19-11/h6,9,16H,4-5,7-8H2,1-3H3
InChIKeyJWSCHDKYDZKAIL-UHFFFAOYSA-N
XLogP4.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62766846
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62767191
N-methyl-5-(methylaminomethyl)-N-[(3-methylphenyl)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62780134
N-[(4-bromophenyl)methyl]-4-ethyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62779800
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393143
4-ethyl-N-methyl-5-(methylaminomethyl)-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 55117223
N,N-dimethyl-N'-[5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62767038
N-methyl-5-(methylaminomethyl)-N-(4-methylpentan-2-yl)-4-propyl-1,3-thiazol-2-amine
CID 62768269
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
5-[(cyclopropylamino)methyl]-N-methyl-4-propyl-N-(thiophen-3-ylmethyl)-1,3-thiazol-2-amine
CID 62767283
2-N-[(4-bromothiophen-2-yl)methyl]-2-N,7-N-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,7-diamine
CID 62752706
N,N-bis(2-methoxyethyl)-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62768441

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine (CID 62767879) is N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine is CCCc1nc(N(C)Cc2cc(Br)cs2)sc1CNC.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine?
The InChIKey is JWSCHDKYDZKAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S2/c1-4-5-12-13(7-16-2)20-14(17-12)18(3)8-11-6-10(15)9-19-11/h6,9,16H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine has a molecular weight of 374.37 g/mol, XLogP of 4.28, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62767879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).