N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

C18H24N4OS — CID 71682653

IUPACN-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
InChIKeyKVSJQCPJNCQNHH-UHFFFAOYSA-N
MW344.48 g/mol
LogP4.44
Rot. Bonds2

About N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide

N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (PubChem CID 71682653) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
PubChem CID71682653
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC NameN-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide
SMILESCc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(C(C)(C)C)c1
InChIInChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23)
InChIKeyKVSJQCPJNCQNHH-UHFFFAOYSA-N
XLogP4.44
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide (CID 71682653) is N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is Cc1nc(NC(=O)N2CCCC2)sc1-c1ccnc(C(C)(C)C)c1.
What is the InChIKey of N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is KVSJQCPJNCQNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-12-15(13-7-8-19-14(11-13)18(2,3)4)24-16(20-12)21-17(23)22-9-5-6-10-22/h7-8,11H,5-6,9-10H2,1-4H3,(H,20,21,23).
What are the key properties of N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide?
N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 4.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-tert-butyl-4-pyridinyl)-4-methyl-1,3-thiazol-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71682653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).