N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide

C17H17BrN4OS — CID 2877331

IUPACN-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
SMILESBr.CC(=O)Nc1cccc(-c2csc(Nc3cc(C)ccn3)n2)c1
InChIInChI=1S/C17H16N4OS.BrH/c1-11-6-7-18-16(8-11)21-17-20-15(10-23-17)13-4-3-5-14(9-13)19-12(2)22;/h3-10H,1-2H3,(H,19,22)(H,18,20,21);1H
InChIKeySXANNQDZBYIUFF-UHFFFAOYSA-N
MW405.32 g/mol
LogP4.79
Rot. Bonds4

About N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide

N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide (PubChem CID 2877331) has the molecular formula C17H17BrN4OS and a molecular weight of 405.32 g/mol. Its IUPAC name is N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide.

Molecular Properties

Compound NameN-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
PubChem CID2877331
Molecular FormulaC17H17BrN4OS
Molecular Weight405.32 g/mol
Exact Mass404.03
IUPAC NameN-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide
SMILESBr.CC(=O)Nc1cccc(-c2csc(Nc3cc(C)ccn3)n2)c1
InChIInChI=1S/C17H16N4OS.BrH/c1-11-6-7-18-16(8-11)21-17-20-15(10-23-17)13-4-3-5-14(9-13)19-12(2)22;/h3-10H,1-2H3,(H,19,22)(H,18,20,21);1H
InChIKeySXANNQDZBYIUFF-UHFFFAOYSA-N
XLogP4.79
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.32
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-methyl-2-pyridinyl)phenyl]acetamide
CID 143373898
N-[3-[(4-phenyl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564808
N-(4-methyl-2-pyridinyl)-4-(4-phenyl-2-pyridinyl)-1,3-thiazol-2-amine
CID 163269079
N-[3-[2-(3-methylanilino)-1,3-thiazol-4-yl]phenyl]thiophene-2-carboxamide
CID 5039153
N-[3-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]phenyl]acetamide
CID 84564819
N-[3-[[4-(4-bromophenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564814
N-[3-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565354
N-[3-[[4-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84564813
N-[3-[[4-(2,3-dihydro-1H-inden-5-yl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565384
N-[3-[[4-(3,4-diethoxyphenyl)-1,3-thiazol-2-yl]amino]phenyl]acetamide
CID 84565401
N-[3-[2-[(4-methyl-2-oxo-1-pyridinyl)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 84566142
(E)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-3-phenylprop-2-enamide;hydrochloride
CID 163326029

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
The IUPAC name of N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide (CID 2877331) is N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide.
What is the SMILES notation for N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
The canonical SMILES for N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide is Br.CC(=O)Nc1cccc(-c2csc(Nc3cc(C)ccn3)n2)c1.
What is the InChIKey of N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
The InChIKey is SXANNQDZBYIUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4OS.BrH/c1-11-6-7-18-16(8-11)21-17-20-15(10-23-17)13-4-3-5-14(9-13)19-12(2)22;/h3-10H,1-2H3,(H,19,22)(H,18,20,21);1H.
What are the key properties of N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide?
N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide has a molecular weight of 405.32 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(4-methyl-2-pyridinyl)amino]-1,3-thiazol-4-yl]phenyl]acetamide;hydrobromide is sourced from PubChem (CID 2877331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).