4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

C16H21N3OS — CID 53367712

IUPAC4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2nc(C)c(C(=O)NC(C)C)s2)ccn1
InChIInChI=1S/C16H21N3OS/c1-5-6-13-9-12(7-8-17-13)16-19-11(4)14(21-16)15(20)18-10(2)3/h7-10H,5-6H2,1-4H3,(H,18,20)
InChIKeyLAAQWKDQJDCNBT-UHFFFAOYSA-N
MW303.43 g/mol
LogP3.60
Rot. Bonds5

About 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide

4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (PubChem CID 53367712) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
PubChem CID53367712
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide
SMILESCCCc1cc(-c2nc(C)c(C(=O)NC(C)C)s2)ccn1
InChIInChI=1S/C16H21N3OS/c1-5-6-13-9-12(7-8-17-13)16-19-11(4)14(21-16)15(20)18-10(2)3/h7-10H,5-6H2,1-4H3,(H,18,20)
InChIKeyLAAQWKDQJDCNBT-UHFFFAOYSA-N
XLogP3.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide (CID 53367712) is 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is CCCc1cc(-c2nc(C)c(C(=O)NC(C)C)s2)ccn1.
What is the InChIKey of 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
The InChIKey is LAAQWKDQJDCNBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-5-6-13-9-12(7-8-17-13)16-19-11(4)14(21-16)15(20)18-10(2)3/h7-10H,5-6H2,1-4H3,(H,18,20).
What are the key properties of 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide?
4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide has a molecular weight of 303.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-2-(2-propyl-4-pyridinyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53367712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).