N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

C16H13BrN4OS — CID 90510013

IUPACN-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)Nc3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C16H13BrN4OS/c1-10-3-2-4-14(18-10)21-16-20-13(9-23-16)15(22)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyXDJNODBFMQYKMA-UHFFFAOYSA-N
MW389.28 g/mol
LogP4.60
Rot. Bonds4

About N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide

N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (PubChem CID 90510013) has the molecular formula C16H13BrN4OS and a molecular weight of 389.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
PubChem CID90510013
Molecular FormulaC16H13BrN4OS
Molecular Weight389.28 g/mol
Exact Mass388.00
IUPAC NameN-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
SMILESCc1cccc(Nc2nc(C(=O)Nc3ccc(Br)cc3)cs2)n1
InChIInChI=1S/C16H13BrN4OS/c1-10-3-2-4-14(18-10)21-16-20-13(9-23-16)15(22)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,22)(H,18,20,21)
InChIKeyXDJNODBFMQYKMA-UHFFFAOYSA-N
XLogP4.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510028
butyl 4-[[2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carbonyl]amino]benzoate
CID 90510030
N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90509929
ethyl 2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxylate
CID 52903989
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 90510075
2-methyl-N-(6-methyl-2-pyridinyl)-1,3-thiazole-4-carboxamide
CID 47445423
N-phenyl-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509789
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
N-(4-chlorophenyl)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-1,3-thiazole-4-carboxamide
CID 90506182
N-(3-bromophenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-4-carboxamide
CID 16948505
N-(4-methylsulfonylphenyl)-2-(pyridin-2-ylamino)-1,3-thiazole-4-carboxamide
CID 90509926
N-(2,6-dimethylphenyl)-2-[(6-ethyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide
CID 54273764

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide (CID 90510013) is N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is Cc1cccc(Nc2nc(C(=O)Nc3ccc(Br)cc3)cs2)n1.
What is the InChIKey of N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
The InChIKey is XDJNODBFMQYKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN4OS/c1-10-3-2-4-14(18-10)21-16-20-13(9-23-16)15(22)19-12-7-5-11(17)6-8-12/h2-9H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide?
N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide has a molecular weight of 389.28 g/mol, XLogP of 4.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-[(6-methyl-2-pyridinyl)amino]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 90510013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).