4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine

C9H12N4S — CID 107589096

IUPAC4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cncnc2)=N1
InChIInChI=1S/C9H12N4S/c1-9(2)5-14-8(13-9)12-7-3-10-6-11-4-7/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyHKZLCTKSEYBDRH-UHFFFAOYSA-N
MW208.29 g/mol
LogP1.77
Rot. Bonds1

About 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine

4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine (PubChem CID 107589096) has the molecular formula C9H12N4S and a molecular weight of 208.29 g/mol. Its IUPAC name is 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
PubChem CID107589096
Molecular FormulaC9H12N4S
Molecular Weight208.29 g/mol
Exact Mass208.08
IUPAC Name4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine
SMILESCC1(C)CSC(Nc2cncnc2)=N1
InChIInChI=1S/C9H12N4S/c1-9(2)5-14-8(13-9)12-7-3-10-6-11-4-7/h3-4,6H,5H2,1-2H3,(H,12,13)
InChIKeyHKZLCTKSEYBDRH-UHFFFAOYSA-N
XLogP1.77
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine?
The IUPAC name of 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine (CID 107589096) is 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine?
The canonical SMILES for 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine is CC1(C)CSC(Nc2cncnc2)=N1.
What is the InChIKey of 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine?
The InChIKey is HKZLCTKSEYBDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S/c1-9(2)5-14-8(13-9)12-7-3-10-6-11-4-7/h3-4,6H,5H2,1-2H3,(H,12,13).
What are the key properties of 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine?
4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine has a molecular weight of 208.29 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-pyrimidin-5-yl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 107589096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).