3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide

C17H22N4OS — CID 167850484

IUPAC3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide
SMILESCC(C)c1csc(NC(=O)N2CC(C)(C)C2c2ccncc2)n1
InChIInChI=1S/C17H22N4OS/c1-11(2)13-9-23-15(19-13)20-16(22)21-10-17(3,4)14(21)12-5-7-18-8-6-12/h5-9,11,14H,10H2,1-4H3,(H,19,20,22)
InChIKeyFODWONJXZXDWJX-UHFFFAOYSA-N
MW330.46 g/mol
LogP4.28
Rot. Bonds3

About 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide

3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 167850484) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound Name3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide
PubChem CID167850484
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC Name3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide
SMILESCC(C)c1csc(NC(=O)N2CC(C)(C)C2c2ccncc2)n1
InChIInChI=1S/C17H22N4OS/c1-11(2)13-9-23-15(19-13)20-16(22)21-10-17(3,4)14(21)12-5-7-18-8-6-12/h5-9,11,14H,10H2,1-4H3,(H,19,20,22)
InChIKeyFODWONJXZXDWJX-UHFFFAOYSA-N
XLogP4.28
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide (CID 167850484) is 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide is CC(C)c1csc(NC(=O)N2CC(C)(C)C2c2ccncc2)n1.
What is the InChIKey of 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is FODWONJXZXDWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-11(2)13-9-23-15(19-13)20-16(22)21-10-17(3,4)14(21)12-5-7-18-8-6-12/h5-9,11,14H,10H2,1-4H3,(H,19,20,22).
What are the key properties of 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide?
3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 330.46 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 167850484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).