N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

C12H12BrN3S — CID 106876827

IUPACN-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1ccnc(Nc2nc3c(s2)CCC3)c1Br
InChIInChI=1S/C12H12BrN3S/c1-7-5-6-14-11(10(7)13)16-12-15-8-3-2-4-9(8)17-12/h5-6H,2-4H2,1H3,(H,14,15,16)
InChIKeyQTVYFSYMMUULDC-UHFFFAOYSA-N
MW310.22 g/mol
LogP3.84
Rot. Bonds2

About N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine

N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (PubChem CID 106876827) has the molecular formula C12H12BrN3S and a molecular weight of 310.22 g/mol. Its IUPAC name is N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.

Molecular Properties

Compound NameN-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
PubChem CID106876827
Molecular FormulaC12H12BrN3S
Molecular Weight310.22 g/mol
Exact Mass308.99
IUPAC NameN-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine
SMILESCc1ccnc(Nc2nc3c(s2)CCC3)c1Br
InChIInChI=1S/C12H12BrN3S/c1-7-5-6-14-11(10(7)13)16-12-15-8-3-2-4-9(8)17-12/h5-6H,2-4H2,1H3,(H,14,15,16)
InChIKeyQTVYFSYMMUULDC-UHFFFAOYSA-N
XLogP3.84
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.22
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The IUPAC name of N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine (CID 106876827) is N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine.
What is the SMILES notation for N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The canonical SMILES for N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is Cc1ccnc(Nc2nc3c(s2)CCC3)c1Br.
What is the InChIKey of N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
The InChIKey is QTVYFSYMMUULDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3S/c1-7-5-6-14-11(10(7)13)16-12-15-8-3-2-4-9(8)17-12/h5-6H,2-4H2,1H3,(H,14,15,16).
What are the key properties of N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine?
N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine has a molecular weight of 310.22 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-methyl-2-pyridinyl)-5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-amine is sourced from PubChem (CID 106876827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).