N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine

C8H7BrN4S — CID 63874751

IUPACN-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2ncc(Br)cn2)s1
InChIInChI=1S/C8H7BrN4S/c1-5-2-12-8(14-5)13-7-10-3-6(9)4-11-7/h2-4H,1H3,(H,10,11,12,13)
InChIKeyMSYDKSNRNHZOBP-UHFFFAOYSA-N
MW271.14 g/mol
LogP2.75
Rot. Bonds2

About N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine

N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine (PubChem CID 63874751) has the molecular formula C8H7BrN4S and a molecular weight of 271.14 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine
PubChem CID63874751
Molecular FormulaC8H7BrN4S
Molecular Weight271.14 g/mol
Exact Mass269.96
IUPAC NameN-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine
SMILESCc1cnc(Nc2ncc(Br)cn2)s1
InChIInChI=1S/C8H7BrN4S/c1-5-2-12-8(14-5)13-7-10-3-6(9)4-11-7/h2-4H,1H3,(H,10,11,12,13)
InChIKeyMSYDKSNRNHZOBP-UHFFFAOYSA-N
XLogP2.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.14
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine (CID 63874751) is N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine is Cc1cnc(Nc2ncc(Br)cn2)s1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine?
The InChIKey is MSYDKSNRNHZOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4S/c1-5-2-12-8(14-5)13-7-10-3-6(9)4-11-7/h2-4H,1H3,(H,10,11,12,13).
What are the key properties of N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine?
N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine has a molecular weight of 271.14 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-5-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 63874751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).