N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

C10H15N5S — CID 115671380

IUPACN,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CNCc2ccn[nH]2)cs1
InChIInChI=1S/C10H15N5S/c1-15(2)10-13-9(7-16-10)6-11-5-8-3-4-12-14-8/h3-4,7,11H,5-6H2,1-2H3,(H,12,14)
InChIKeyUPLDMGVROOCEAR-UHFFFAOYSA-N
MW237.33 g/mol
LogP1.22
Rot. Bonds5

About N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine

N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115671380) has the molecular formula C10H15N5S and a molecular weight of 237.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115671380
Molecular FormulaC10H15N5S
Molecular Weight237.33 g/mol
Exact Mass237.10
IUPAC NameN,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
SMILESCN(C)c1nc(CNCc2ccn[nH]2)cs1
InChIInChI=1S/C10H15N5S/c1-15(2)10-13-9(7-16-10)6-11-5-8-3-4-12-14-8/h3-4,7,11H,5-6H2,1-2H3,(H,12,14)
InChIKeyUPLDMGVROOCEAR-UHFFFAOYSA-N
XLogP1.22
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine (CID 115671380) is N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is CN(C)c1nc(CNCc2ccn[nH]2)cs1.
What is the InChIKey of N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is UPLDMGVROOCEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5S/c1-15(2)10-13-9(7-16-10)6-11-5-8-3-4-12-14-8/h3-4,7,11H,5-6H2,1-2H3,(H,12,14).
What are the key properties of N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 237.33 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115671380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).