N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

C13H18N6S — CID 72849027

IUPACN-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(Cc1nccn1C)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H18N6S/c1-5-19(8-10-14-6-7-17(10)3)13-15-12-11(20-13)9(2)16-18(12)4/h6-7H,5,8H2,1-4H3
InChIKeySLFNXSHMOYLQNH-UHFFFAOYSA-N
MW290.40 g/mol
LogP2.10
Rot. Bonds4

About N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine

N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (PubChem CID 72849027) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
PubChem CID72849027
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC NameN-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine
SMILESCCN(Cc1nccn1C)c1nc2c(s1)c(C)nn2C
InChIInChI=1S/C13H18N6S/c1-5-19(8-10-14-6-7-17(10)3)13-15-12-11(20-13)9(2)16-18(12)4/h6-7H,5,8H2,1-4H3
InChIKeySLFNXSHMOYLQNH-UHFFFAOYSA-N
XLogP2.10
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine (CID 72849027) is N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is CCN(Cc1nccn1C)c1nc2c(s1)c(C)nn2C.
What is the InChIKey of N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
The InChIKey is SLFNXSHMOYLQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-5-19(8-10-14-6-7-17(10)3)13-15-12-11(20-13)9(2)16-18(12)4/h6-7H,5,8H2,1-4H3.
What are the key properties of N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine?
N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine has a molecular weight of 290.40 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazolo[5,4-d][1,3]thiazol-5-amine is sourced from PubChem (CID 72849027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).