4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine

C9H13N3S — CID 19018574

IUPAC4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C2CN3CCC2C3)cs1
InChIInChI=1S/C9H13N3S/c10-9-11-8(5-13-9)7-4-12-2-1-6(7)3-12/h5-7H,1-4H2,(H2,10,11)
InChIKeyWMWDUCMNFQMOBJ-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.14
Rot. Bonds1

About 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine

4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine (PubChem CID 19018574) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
PubChem CID19018574
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC Name4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine
SMILESNc1nc(C2CN3CCC2C3)cs1
InChIInChI=1S/C9H13N3S/c10-9-11-8(5-13-9)7-4-12-2-1-6(7)3-12/h5-7H,1-4H2,(H2,10,11)
InChIKeyWMWDUCMNFQMOBJ-UHFFFAOYSA-N
XLogP1.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 115021188
(3R)-3-(5,6-dimethylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71454461
(3R)-3-(6-methylpyrazin-2-yl)-1-azabicyclo[2.2.1]heptane
CID 71458009
4-[(1R,2R)-2-phenylcyclopropyl]-1,3-thiazol-2-amine
CID 58955597
4-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]-1,3-thiazol-2-amine
CID 95829128
[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 110258686
4-[(2R)-oxolan-2-yl]-1,3-thiazol-2-amine
CID 86336609
methyl 3-(2-amino-1,3-thiazol-4-yl)piperidine-1-carboxylate
CID 156820250
5-[(3R)-1-azabicyclo[2.2.1]heptan-3-yl]-N,N-dimethyl-1,2,4-thiadiazol-3-amine
CID 71451006
[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-cyclobutylmethanone
CID 125020922
1-[(2R)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984813
1-[(2S)-2-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 124984814

Frequently Asked Questions

What is the IUPAC name of 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine (CID 19018574) is 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine is Nc1nc(C2CN3CCC2C3)cs1.
What is the InChIKey of 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is WMWDUCMNFQMOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-9-11-8(5-13-9)7-4-12-2-1-6(7)3-12/h5-7H,1-4H2,(H2,10,11).
What are the key properties of 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine?
4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 195.29 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-azabicyclo[2.2.1]heptan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 19018574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).