N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride

C9H13ClN4S — CID 44667288

IUPACN-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
SMILESCc1cc(C)nc(NC2=NCCS2)n1.Cl
InChIInChI=1S/C9H12N4S.ClH/c1-6-5-7(2)12-8(11-6)13-9-10-3-4-14-9;/h5H,3-4H2,1-2H3,(H,10,11,12,13);1H
InChIKeyWLMSLBQZIZOHST-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.03
Rot. Bonds1

About N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride

N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride (PubChem CID 44667288) has the molecular formula C9H13ClN4S and a molecular weight of 244.75 g/mol. Its IUPAC name is N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
PubChem CID44667288
Molecular FormulaC9H13ClN4S
Molecular Weight244.75 g/mol
Exact Mass244.05
IUPAC NameN-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride
SMILESCc1cc(C)nc(NC2=NCCS2)n1.Cl
InChIInChI=1S/C9H12N4S.ClH/c1-6-5-7(2)12-8(11-6)13-9-10-3-4-14-9;/h5H,3-4H2,1-2H3,(H,10,11,12,13);1H
InChIKeyWLMSLBQZIZOHST-UHFFFAOYSA-N
XLogP2.03
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride (CID 44667288) is N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride is Cc1cc(C)nc(NC2=NCCS2)n1.Cl.
What is the InChIKey of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is WLMSLBQZIZOHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4S.ClH/c1-6-5-7(2)12-8(11-6)13-9-10-3-4-14-9;/h5H,3-4H2,1-2H3,(H,10,11,12,13);1H.
What are the key properties of N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride?
N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 244.75 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylpyrimidin-2-yl)-4,5-dihydro-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 44667288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).