2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide

C14H18N4OS — CID 47027923

IUPAC2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCc3c2cnn3C)s1
InChIInChI=1S/C14H18N4OS/c1-8-13(20-9(2)16-8)14(19)17-11-5-4-6-12-10(11)7-15-18(12)3/h7,11H,4-6H2,1-3H3,(H,17,19)
InChIKeyVSEYONOBSPTLHQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP2.30
Rot. Bonds2

About 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide

2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide (PubChem CID 47027923) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide
PubChem CID47027923
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide
SMILESCc1nc(C)c(C(=O)NC2CCCc3c2cnn3C)s1
InChIInChI=1S/C14H18N4OS/c1-8-13(20-9(2)16-8)14(19)17-11-5-4-6-12-10(11)7-15-18(12)3/h7,11H,4-6H2,1-3H3,(H,17,19)
InChIKeyVSEYONOBSPTLHQ-UHFFFAOYSA-N
XLogP2.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide (CID 47027923) is 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide is Cc1nc(C)c(C(=O)NC2CCCc3c2cnn3C)s1.
What is the InChIKey of 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide?
The InChIKey is VSEYONOBSPTLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c1-8-13(20-9(2)16-8)14(19)17-11-5-4-6-12-10(11)7-15-18(12)3/h7,11H,4-6H2,1-3H3,(H,17,19).
What are the key properties of 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide?
2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47027923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).