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

C14H20BrN3S2 — CID 62767191

IUPACN-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)Cc2cc(Br)cs2)nc1C
InChIInChI=1S/C14H20BrN3S2/c1-4-5-16-7-13-10(2)17-14(20-13)18(3)8-12-6-11(15)9-19-12/h6,9,16H,4-5,7-8H2,1-3H3
InChIKeyHOCKCLRSTUTPQR-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.41
Rot. Bonds7

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

N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (PubChem CID 62767191) 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,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
PubChem CID62767191
Molecular FormulaC14H20BrN3S2
Molecular Weight374.37 g/mol
Exact Mass373.03
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
SMILESCCCNCc1sc(N(C)Cc2cc(Br)cs2)nc1C
InChIInChI=1S/C14H20BrN3S2/c1-4-5-16-7-13-10(2)17-14(20-13)18(3)8-12-6-11(15)9-19-12/h6,9,16H,4-5,7-8H2,1-3H3
InChIKeyHOCKCLRSTUTPQR-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766999
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-5-(methylaminomethyl)-4-propyl-1,3-thiazol-2-amine
CID 62767879
N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-(propylaminomethyl)aniline
CID 63551376
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62766846
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393143
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 64623899
N-[[6-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906183
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-N-methyl-4-(propylaminomethyl)pyridin-2-amine
CID 114925898
N-ethyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62764514
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N,4-dimethyl-N-(2-methylphenyl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62766679
N-[(4-bromothiophen-2-yl)methyl]-4-fluoro-N-methyl-2-(propylaminomethyl)aniline
CID 63552121

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine (CID 62767191) is N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is CCCNCc1sc(N(C)Cc2cc(Br)cs2)nc1C.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
The InChIKey is HOCKCLRSTUTPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S2/c1-4-5-16-7-13-10(2)17-14(20-13)18(3)8-12-6-11(15)9-19-12/h6,9,16H,4-5,7-8H2,1-3H3.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine?
N-[(4-bromothiophen-2-yl)methyl]-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine has a molecular weight of 374.37 g/mol, XLogP of 4.41, 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,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62767191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).