N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

C9H14N4S — CID 112671215

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CNC1=NCCS1
InChIInChI=1S/C9H14N4S/c1-7-8(6-13(2)12-7)5-11-9-10-3-4-14-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyPADNICGIGJEOHB-UHFFFAOYSA-N
MW210.31 g/mol
LogP0.92
Rot. Bonds2

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 112671215) has the molecular formula C9H14N4S and a molecular weight of 210.31 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID112671215
Molecular FormulaC9H14N4S
Molecular Weight210.31 g/mol
Exact Mass210.09
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1nn(C)cc1CNC1=NCCS1
InChIInChI=1S/C9H14N4S/c1-7-8(6-13(2)12-7)5-11-9-10-3-4-14-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyPADNICGIGJEOHB-UHFFFAOYSA-N
XLogP0.92
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine (CID 112671215) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is Cc1nn(C)cc1CNC1=NCCS1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is PADNICGIGJEOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4S/c1-7-8(6-13(2)12-7)5-11-9-10-3-4-14-9/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 210.31 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 112671215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).