5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine

C14H20BrN3S2 — CID 62768599

IUPAC5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1csc(Br)c1)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C14H20BrN3S2/c1-14(2,3)12-10(6-16)20-13(17-12)18(4)7-9-5-11(15)19-8-9/h5,8H,6-7,16H2,1-4H3
InChIKeyIYNHBFHVNDUACK-UHFFFAOYSA-N
MW374.37 g/mol
LogP4.36
Rot. Bonds4

About 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine

5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine (PubChem CID 62768599) has the molecular formula C14H20BrN3S2 and a molecular weight of 374.37 g/mol. Its IUPAC name is 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine
PubChem CID62768599
Molecular FormulaC14H20BrN3S2
Molecular Weight374.37 g/mol
Exact Mass373.03
IUPAC Name5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1csc(Br)c1)c1nc(C(C)(C)C)c(CN)s1
InChIInChI=1S/C14H20BrN3S2/c1-14(2,3)12-10(6-16)20-13(17-12)18(4)7-9-5-11(15)19-8-9/h5,8H,6-7,16H2,1-4H3
InChIKeyIYNHBFHVNDUACK-UHFFFAOYSA-N
XLogP4.36
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N,6-dimethylpyrimidin-2-amine
CID 107541784
2-[(5-bromothiophen-3-yl)methyl-methylamino]-5-methyl-1,3-thiazole-4-carboxylic acid
CID 115424057
2-N-[(5-bromothiophen-3-yl)methyl]-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80805230
2-N-[(5-bromothiophen-3-yl)methyl]-6-chloro-2-N-methylpyridine-2,3-diamine
CID 113316842
5-(aminomethyl)-4-tert-butyl-N-(4-ethylphenyl)-N-methyl-1,3-thiazol-2-amine
CID 62769108
5-(aminomethyl)-4-tert-butyl-N-methyl-N-pentan-3-yl-1,3-thiazol-2-amine
CID 62768860
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-4-ethyl-N-methyl-1,3-thiazol-2-amine
CID 62766846
N-benzyl-4-tert-butyl-N-methyl-5-(methylaminomethyl)-1,3-thiazol-2-amine
CID 62764849
N'-[(5-bromothiophen-3-yl)methyl]-N',2,2-trimethylpropane-1,3-diamine;hydrochloride
CID 119928808
5-(aminomethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79393143
1-[2-[(5-bromothiophen-3-yl)methyl-methylamino]-1,3-thiazol-5-yl]ethanone
CID 62751326
4-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-5-chloro-N-methylpyridin-2-amine
CID 114926094

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine (CID 62768599) is 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine is CN(Cc1csc(Br)c1)c1nc(C(C)(C)C)c(CN)s1.
What is the InChIKey of 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
The InChIKey is IYNHBFHVNDUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrN3S2/c1-14(2,3)12-10(6-16)20-13(17-12)18(4)7-9-5-11(15)19-8-9/h5,8H,6-7,16H2,1-4H3.
What are the key properties of 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine?
5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine has a molecular weight of 374.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-4-tert-butyl-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62768599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).