N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide

C14H16BrN3OS — CID 154739698

IUPACN-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2scnc2C(C)(C)C)c(Br)c1
InChIInChI=1S/C14H16BrN3OS/c1-8-5-9(15)12(16-6-8)18-13(19)10-11(14(2,3)4)17-7-20-10/h5-7H,1-4H3,(H,16,18,19)
InChIKeyYERUBFABBZYHTO-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.16
Rot. Bonds2

About N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide

N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide (PubChem CID 154739698) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide
PubChem CID154739698
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC NameN-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide
SMILESCc1cnc(NC(=O)c2scnc2C(C)(C)C)c(Br)c1
InChIInChI=1S/C14H16BrN3OS/c1-8-5-9(15)12(16-6-8)18-13(19)10-11(14(2,3)4)17-7-20-10/h5-7H,1-4H3,(H,16,18,19)
InChIKeyYERUBFABBZYHTO-UHFFFAOYSA-N
XLogP4.16
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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2-[(3-bromo-5-methyl-2-pyridinyl)amino]-N-tert-butylacetamide
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N-(3-bromo-5-methyl-2-pyridinyl)-3-chloropyridine-4-carboxamide
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N-(3-methylphenyl)-4-(trifluoromethyl)-1,3-thiazole-5-carboxamide
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N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
4-tert-butyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111577113
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N-(5-bromo-6-chloro-3-pyridinyl)-4-methyl-1,3-thiazole-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide (CID 154739698) is N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide is Cc1cnc(NC(=O)c2scnc2C(C)(C)C)c(Br)c1.
What is the InChIKey of N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide?
The InChIKey is YERUBFABBZYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-8-5-9(15)12(16-6-8)18-13(19)10-11(14(2,3)4)17-7-20-10/h5-7H,1-4H3,(H,16,18,19).
What are the key properties of N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide?
N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide has a molecular weight of 354.27 g/mol, XLogP of 4.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-5-methyl-2-pyridinyl)-4-tert-butyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 154739698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).