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

C13H18BrN3S2 — CID 62753618

IUPACN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C13H18BrN3S2/c1-9(2)15-5-11-6-16-13(19-11)17(3)7-10-4-12(14)18-8-10/h4,6,8-9,15H,5,7H2,1-3H3
InChIKeySSNYOTUVCKXDAQ-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.10
Rot. Bonds6

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

N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 62753618) has the molecular formula C13H18BrN3S2 and a molecular weight of 360.35 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID62753618
Molecular FormulaC13H18BrN3S2
Molecular Weight360.35 g/mol
Exact Mass359.01
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1cnc(N(C)Cc2csc(Br)c2)s1
InChIInChI=1S/C13H18BrN3S2/c1-9(2)15-5-11-6-16-13(19-11)17(3)7-10-4-12(14)18-8-10/h4,6,8-9,15H,5,7H2,1-3H3
InChIKeySSNYOTUVCKXDAQ-UHFFFAOYSA-N
XLogP4.10
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-bromothiophen-3-yl)methyl]-N,3-dimethyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 80631429
N-[(5-bromothiophen-3-yl)methyl]-3-chloro-N-methyl-5-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62287934
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 62751326
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-2-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 62287410
N-[(5-bromothiophen-3-yl)methyl]propan-2-amine
CID 43431930
N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55112489
N-[(2-bromo-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 117192655
N-(3-methoxypropyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63009419
N-[[4-[[(5-bromothiophen-3-yl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62463135
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethyl-N'-propan-2-ylpropane-1,3-diamine
CID 62461899
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(2-methylpropylamino)methyl]pyridin-2-amine
CID 62288831
(1S)-1-[5-[(5-bromothiophen-3-yl)methyl-methylamino]-2-pyridinyl]ethanol
CID 83131703

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 62753618) is N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CC(C)NCc1cnc(N(C)Cc2csc(Br)c2)s1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is SSNYOTUVCKXDAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3S2/c1-9(2)15-5-11-6-16-13(19-11)17(3)7-10-4-12(14)18-8-10/h4,6,8-9,15H,5,7H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 360.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62753618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).