5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

C14H17BrN4S — CID 62283013

IUPAC5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cscn1)c1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C14H17BrN4S/c1-19(7-13-8-20-9-18-13)14-10(4-11(15)6-17-14)5-16-12-2-3-12/h4,6,8-9,12,16H,2-3,5,7H2,1H3
InChIKeyUJOUANFRJHIETQ-UHFFFAOYSA-N
MW353.29 g/mol
LogP3.19
Rot. Bonds6

About 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine

5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (PubChem CID 62283013) has the molecular formula C14H17BrN4S and a molecular weight of 353.29 g/mol. Its IUPAC name is 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
PubChem CID62283013
Molecular FormulaC14H17BrN4S
Molecular Weight353.29 g/mol
Exact Mass352.04
IUPAC Name5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
SMILESCN(Cc1cscn1)c1ncc(Br)cc1CNC1CC1
InChIInChI=1S/C14H17BrN4S/c1-19(7-13-8-20-9-18-13)14-10(4-11(15)6-17-14)5-16-12-2-3-12/h4,6,8-9,12,16H,2-3,5,7H2,1H3
InChIKeyUJOUANFRJHIETQ-UHFFFAOYSA-N
XLogP3.19
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-5-bromo-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62284947
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyridin-2-amine
CID 62288842
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
5-bromo-N-cyclopentyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62280389
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 62283954
N'-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102997407
2-N-[5-bromo-3-[(cyclopropylamino)methyl]-2-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191503
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-(cyclopropylmethyl)pyridin-2-amine
CID 64519885
N-[[5-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 62427363
5-bromo-3-[(cyclopropylamino)methyl]-N-ethyl-N-(2-ethylbutyl)pyridin-2-amine
CID 63489111
3-chloro-N-methyl-5-(methylaminomethyl)-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine
CID 62282315
2-N,5-dimethyl-2-N-(1,3-thiazol-4-ylmethyl)pyridine-2,3-diamine
CID 66278220

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine (CID 62283013) is 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is CN(Cc1cscn1)c1ncc(Br)cc1CNC1CC1.
What is the InChIKey of 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
The InChIKey is UJOUANFRJHIETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4S/c1-19(7-13-8-20-9-18-13)14-10(4-11(15)6-17-14)5-16-12-2-3-12/h4,6,8-9,12,16H,2-3,5,7H2,1H3.
What are the key properties of 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine?
5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine has a molecular weight of 353.29 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(cyclopropylamino)methyl]-N-methyl-N-(1,3-thiazol-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 62283013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).