4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine

C10H10BrN3OS — CID 79399734

IUPAC4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ncccc1CNc1nc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c1-15-9-7(3-2-4-12-9)5-13-10-14-8(11)6-16-10/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyOEOWAFJEEHAOIT-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.92
Rot. Bonds4

About 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine

4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine (PubChem CID 79399734) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
PubChem CID79399734
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine
SMILESCOc1ncccc1CNc1nc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c1-15-9-7(3-2-4-12-9)5-13-10-14-8(11)6-16-10/h2-4,6H,5H2,1H3,(H,13,14)
InChIKeyOEOWAFJEEHAOIT-UHFFFAOYSA-N
XLogP2.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(naphthalen-1-ylmethyl)-1,3-thiazol-2-amine
CID 79400625
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
4-chloro-N-[(2-methoxy-3-pyridinyl)methyl]-1,2,5-thiadiazol-3-amine
CID 106192514
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
N-[(2-methoxy-3-pyridinyl)methyl]-1,2,4-benzotriazin-3-amine
CID 103204100
N-[(2-methoxy-3-pyridinyl)methyl]-5-nitro-1,3-thiazol-2-amine
CID 102770482
1-(2-methoxy-3-pyridinyl)-N-[(2-methylpropan-2-yl)oxy]methanamine
CID 82724314
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
4-bromo-2-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 114905243

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine (CID 79399734) is 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine is COc1ncccc1CNc1nc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
The InChIKey is OEOWAFJEEHAOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c1-15-9-7(3-2-4-12-9)5-13-10-14-8(11)6-16-10/h2-4,6H,5H2,1H3,(H,13,14).
What are the key properties of 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine?
4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine has a molecular weight of 300.18 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79399734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).