2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

C13H15BrN4OS — CID 53200102

IUPAC2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(Nc2ccc(Br)cn2)nc1C
InChIInChI=1S/C13H15BrN4OS/c1-3-6-15-12(19)11-8(2)17-13(20-11)18-10-5-4-9(14)7-16-10/h4-5,7H,3,6H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyQKAITYIDZJJULL-UHFFFAOYSA-N
MW355.26 g/mol
LogP3.49
Rot. Bonds5

About 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide

2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 53200102) has the molecular formula C13H15BrN4OS and a molecular weight of 355.26 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID53200102
Molecular FormulaC13H15BrN4OS
Molecular Weight355.26 g/mol
Exact Mass354.01
IUPAC Name2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(Nc2ccc(Br)cn2)nc1C
InChIInChI=1S/C13H15BrN4OS/c1-3-6-15-12(19)11-8(2)17-13(20-11)18-10-5-4-9(14)7-16-10/h4-5,7H,3,6H2,1-2H3,(H,15,19)(H,16,17,18)
InChIKeyQKAITYIDZJJULL-UHFFFAOYSA-N
XLogP3.49
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53199996
N-[(4-chlorophenyl)methyl]-2-[(5-chloro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365283
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(2-pyridin-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 53200014
2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-N-[(4-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 53199971
2-[(5-chloro-2-pyridinyl)amino]-N-(cyclopropylmethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53200011
2-(methanesulfonamido)-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 100772934
2-[(5-chloro-2-pyridinyl)amino]-N-[(4-ethoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53365271
4-methyl-2-[(4-methylphenyl)carbamoylamino]-N-propyl-1,3-thiazole-5-carboxamide
CID 16897288
2-[(5-chloro-2-pyridinyl)amino]-4-methyl-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 53200013
N-[(4-bromophenyl)methyl]-2-(2-ethylanilino)-4-methyl-1,3-thiazole-5-carboxamide
CID 53365458
2-[(4-methoxyphenyl)sulfonylamino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 16944943
N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53199979

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide (CID 53200102) is 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(Nc2ccc(Br)cn2)nc1C.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is QKAITYIDZJJULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4OS/c1-3-6-15-12(19)11-8(2)17-13(20-11)18-10-5-4-9(14)7-16-10/h4-5,7H,3,6H2,1-2H3,(H,15,19)(H,16,17,18).
What are the key properties of 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide?
2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 355.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)amino]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 53200102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).