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

C11H13BrN2S2 — CID 63823450

IUPACN-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1CN(C)Cc1sccc1Br
InChIInChI=1S/C11H13BrN2S2/c1-8-10(16-7-13-8)5-14(2)6-11-9(12)3-4-15-11/h3-4,7H,5-6H2,1-2H3
InChIKeyTWHUZKBMSCJJPW-UHFFFAOYSA-N
MW317.28 g/mol
LogP3.91
Rot. Bonds4

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

N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine (PubChem CID 63823450) has the molecular formula C11H13BrN2S2 and a molecular weight of 317.28 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
PubChem CID63823450
Molecular FormulaC11H13BrN2S2
Molecular Weight317.28 g/mol
Exact Mass315.97
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine
SMILESCc1ncsc1CN(C)Cc1sccc1Br
InChIInChI=1S/C11H13BrN2S2/c1-8-10(16-7-13-8)5-14(2)6-11-9(12)3-4-15-11/h3-4,7H,5-6H2,1-2H3
InChIKeyTWHUZKBMSCJJPW-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.28
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromophenyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 55262163
N-[(3-bromothiophen-2-yl)methyl]-N-methylpropan-1-amine
CID 48542145
N-methyl-2-(4-methyl-1,3-thiazol-5-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 134709892
2-methyl-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63838009
3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]thiophene-2-carbohydrazide
CID 63840723
2-amino-4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenol
CID 55259988
2-chloro-5-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]aniline
CID 63842276
potassium trifluoro-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]boranuide
CID 63841451
2-[2-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]acetic acid
CID 115462913
1-(4-bromophenyl)-3-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]propan-1-ol
CID 63836338
N-[[4-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63838273
N'-methyl-N'-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-thiophen-2-ylethane-1,2-diamine
CID 115287870

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine (CID 63823450) is N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine is Cc1ncsc1CN(C)Cc1sccc1Br.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
The InChIKey is TWHUZKBMSCJJPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN2S2/c1-8-10(16-7-13-8)5-14(2)6-11-9(12)3-4-15-11/h3-4,7H,5-6H2,1-2H3.
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine?
N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine has a molecular weight of 317.28 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-N-methyl-1-(4-methyl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 63823450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).