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

C14H20BrN3S2 — CID 62463135

IUPACN-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CN(C)Cc2csc(Br)c2)cs1
InChIInChI=1S/C14H20BrN3S2/c1-10(2)16-5-14-17-12(9-20-14)7-18(3)6-11-4-13(15)19-8-11/h4,8-10,16H,5-7H2,1-3H3
InChIKeySCZGKAILAOKQAZ-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.10
Rot. Bonds7

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

N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (PubChem CID 62463135) has the molecular formula C14H20BrN3S2 and a molecular weight of 374.37 g/mol. Its IUPAC name is N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
PubChem CID62463135
Molecular FormulaC14H20BrN3S2
Molecular Weight374.37 g/mol
Exact Mass373.03
IUPAC NameN-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
SMILESCC(C)NCc1nc(CN(C)Cc2csc(Br)c2)cs1
InChIInChI=1S/C14H20BrN3S2/c1-10(2)16-5-14-17-12(9-20-14)7-18(3)6-11-4-13(15)19-8-11/h4,8-10,16H,5-7H2,1-3H3
InChIKeySCZGKAILAOKQAZ-UHFFFAOYSA-N
XLogP4.10
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 ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[4-[[(4-fluorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62411292
N-[[4-[[(4-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62412531
N-[[4-[[methyl(2-propan-2-yloxyethyl)amino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 81067747
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propan-2-amine
CID 62544830
N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]pentan-2-amine
CID 62434002
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410
1-[4-[[(4-bromophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-methylmethanamine
CID 62412253
N,2-dimethyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]butan-2-amine
CID 63966979
1-methoxy-N-methyl-N-[[2-[(propan-2-ylamino)methyl]-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 55074026
6-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-N-methylpyridin-2-amine
CID 79244017

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine (CID 62463135) is N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is CC(C)NCc1nc(CN(C)Cc2csc(Br)c2)cs1.
What is the InChIKey of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
The InChIKey is SCZGKAILAOKQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S2/c1-10(2)16-5-14-17-12(9-20-14)7-18(3)6-11-4-13(15)19-8-11/h4,8-10,16H,5-7H2,1-3H3.
What are the key properties of N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine?
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine has a molecular weight of 374.37 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62463135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).