N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide

C20H27N3OS — CID 59866137

IUPACN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c1
InChIInChI=1S/C20H27N3OS/c1-6-14-9-10-21-16(11-14)18(24)22-19-23(12-15-7-8-15)13(2)17(25-19)20(3,4)5/h9-11,15H,6-8,12H2,1-5H3/b22-19-
InChIKeyUNHPMLWGBCPVJM-QOCHGBHMSA-N
MW357.52 g/mol
LogP4.26
Rot. Bonds4

About N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide

N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide (PubChem CID 59866137) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide
PubChem CID59866137
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide
SMILESCCc1ccnc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c1
InChIInChI=1S/C20H27N3OS/c1-6-14-9-10-21-16(11-14)18(24)22-19-23(12-15-7-8-15)13(2)17(25-19)20(3,4)5/h9-11,15H,6-8,12H2,1-5H3/b22-19-
InChIKeyUNHPMLWGBCPVJM-QOCHGBHMSA-N
XLogP4.26
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide?
The IUPAC name of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide (CID 59866137) is N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide is CCc1ccnc(C(=O)/N=c2\sc(C(C)(C)C)c(C)n2CC2CC2)c1.
What is the InChIKey of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide?
The InChIKey is UNHPMLWGBCPVJM-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-6-14-9-10-21-16(11-14)18(24)22-19-23(12-15-7-8-15)13(2)17(25-19)20(3,4)5/h9-11,15H,6-8,12H2,1-5H3/b22-19-.
What are the key properties of N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide?
N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide has a molecular weight of 357.52 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]-4-ethylpyridine-2-carboxamide is sourced from PubChem (CID 59866137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).