N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C16H20N4O2S — CID 26953998

IUPACN-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H20N4O2S/c1-10-13(14(22)18-9-12(21)20-16(2,3)4)23-15(19-10)11-7-5-6-8-17-11/h5-8H,9H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyGKQJQGKNRRLILP-UHFFFAOYSA-N
MW332.43 g/mol
LogP2.16
Rot. Bonds4

About N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 26953998) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID26953998
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(-c2ccccn2)sc1C(=O)NCC(=O)NC(C)(C)C
InChIInChI=1S/C16H20N4O2S/c1-10-13(14(22)18-9-12(21)20-16(2,3)4)23-15(19-10)11-7-5-6-8-17-11/h5-8H,9H2,1-4H3,(H,18,22)(H,20,21)
InChIKeyGKQJQGKNRRLILP-UHFFFAOYSA-N
XLogP2.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 78816429
4-methyl-2-pyridin-2-yl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 18107589
N-benzyl-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138512
N-[(4-chlorophenyl)methyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9138190
4-methyl-N-[(2S)-2-phenylpropyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 9457265
N-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 39084221
6-[(4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 39165087
4-methyl-N-[(2-nitrophenyl)methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55798848
N-[2-(1,3-benzothiazol-2-yl)ethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134040764
N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 134027846
4-methyl-N-[[2-[[methyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 55694926
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
CID 18161856

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 26953998) is N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(-c2ccccn2)sc1C(=O)NCC(=O)NC(C)(C)C.
What is the InChIKey of N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GKQJQGKNRRLILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-10-13(14(22)18-9-12(21)20-16(2,3)4)23-15(19-10)11-7-5-6-8-17-11/h5-8H,9H2,1-4H3,(H,18,22)(H,20,21).
What are the key properties of N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylamino)-2-oxoethyl]-4-methyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 26953998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).