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

C19H26N4O2S — CID 48986231

IUPAC2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C19H26N4O2S/c1-13-15(26-18(22-13)19(2,3)4)17(24)21-12-14-6-5-7-20-16(14)23-8-10-25-11-9-23/h5-7H,8-12H2,1-4H3,(H,21,24)
InChIKeyCFSAOAVXMVBEPP-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.91
Rot. Bonds4

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

2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 48986231) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID48986231
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC Name2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)NCc1cccnc1N1CCOCC1
InChIInChI=1S/C19H26N4O2S/c1-13-15(26-18(22-13)19(2,3)4)17(24)21-12-14-6-5-7-20-16(14)23-8-10-25-11-9-23/h5-7H,8-12H2,1-4H3,(H,21,24)
InChIKeyCFSAOAVXMVBEPP-UHFFFAOYSA-N
XLogP2.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38543150
4-fluoro-3-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1-benzothiophene-2-carboxamide
CID 38542555
3-methyl-5-(methylamino)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,2-thiazole-4-carboxamide
CID 38544423
2-(furan-2-yl)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 37488570
1-ethyl-3-[(2-morpholin-4-yl-3-pyridinyl)methyl]urea
CID 47226420
6-chloro-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 56749997
2-tert-butyl-N-[[2-[(2-hydroxypropanoylamino)methyl]phenyl]methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 166375626
1-benzyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]triazole-4-carboxamide
CID 39249339
N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-4-oxo-3-phenylphthalazine-1-carboxamide
CID 39248651
(2R)-2-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]pentanamide
CID 94045824
2-[4-(4-methylphenoxy)phenoxy]-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]acetamide
CID 38544288
(2R)-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-2-pyrazol-1-ylpropanamide
CID 94037913

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide (CID 48986231) is 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)NCc1cccnc1N1CCOCC1.
What is the InChIKey of 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is CFSAOAVXMVBEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-13-15(26-18(22-13)19(2,3)4)17(24)21-12-14-6-5-7-20-16(14)23-8-10-25-11-9-23/h5-7H,8-12H2,1-4H3,(H,21,24).
What are the key properties of 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide?
2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-N-[(2-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 48986231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).