N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide

C13H16N6OS — CID 64782689

IUPACN,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
SMILESCNCc1c(-n2ccc(C(=O)N(C)C)n2)nc2sccn12
InChIInChI=1S/C13H16N6OS/c1-14-8-10-11(15-13-18(10)6-7-21-13)19-5-4-9(16-19)12(20)17(2)3/h4-7,14H,8H2,1-3H3
InChIKeyPFRNSIHQZUUZEP-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.00
Rot. Bonds4

About N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide

N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide (PubChem CID 64782689) has the molecular formula C13H16N6OS and a molecular weight of 304.38 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
PubChem CID64782689
Molecular FormulaC13H16N6OS
Molecular Weight304.38 g/mol
Exact Mass304.11
IUPAC NameN,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
SMILESCNCc1c(-n2ccc(C(=O)N(C)C)n2)nc2sccn12
InChIInChI=1S/C13H16N6OS/c1-14-8-10-11(15-13-18(10)6-7-21-13)19-5-4-9(16-19)12(20)17(2)3/h4-7,14H,8H2,1-3H3
InChIKeyPFRNSIHQZUUZEP-UHFFFAOYSA-N
XLogP1.00
TPSA67.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide (CID 64782689) is N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide is CNCc1c(-n2ccc(C(=O)N(C)C)n2)nc2sccn12.
What is the InChIKey of N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The InChIKey is PFRNSIHQZUUZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6OS/c1-14-8-10-11(15-13-18(10)6-7-21-13)19-5-4-9(16-19)12(20)17(2)3/h4-7,14H,8H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 64782689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).