N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide

C22H26N4O2S — CID 55918125

IUPACN-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C22H26N4O2S/c1-14-10-16(21(28)24-17-6-4-3-5-7-17)8-9-19(14)23-12-18-11-20(27)26-15(2)13-29-22(26)25-18/h8-11,13,17,23H,3-7,12H2,1-2H3,(H,24,28)
InChIKeyXCJDAFFBYJBMFM-UHFFFAOYSA-N
MW410.54 g/mol
LogP4.05
Rot. Bonds5

About N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide

N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide (PubChem CID 55918125) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide
PubChem CID55918125
Molecular FormulaC22H26N4O2S
Molecular Weight410.54 g/mol
Exact Mass410.18
IUPAC NameN-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide
SMILESCc1cc(C(=O)NC2CCCCC2)ccc1NCc1cc(=O)n2c(C)csc2n1
InChIInChI=1S/C22H26N4O2S/c1-14-10-16(21(28)24-17-6-4-3-5-7-17)8-9-19(14)23-12-18-11-20(27)26-15(2)13-29-22(26)25-18/h8-11,13,17,23H,3-7,12H2,1-2H3,(H,24,28)
InChIKeyXCJDAFFBYJBMFM-UHFFFAOYSA-N
XLogP4.05
TPSA75.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.54
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-[(3-bromo-4-methylanilino)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 42888721
N-cycloheptyl-4-(ethylamino)-3-methylbenzamide
CID 63210563
N-cyclohexyl-3-methyl-4-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methylamino]benzamide
CID 60539086
N-cyclohexyl-3-methyl-4-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methylamino]benzamide
CID 55918894
methyl 4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzoate
CID 17424702
7-[[2,4-di(propan-2-yl)anilino]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 56808662
N-cyclohexyl-3-methyl-4-[[2-oxo-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]ethyl]amino]benzamide
CID 60561835
2-cyclopropyl-2-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]acetic acid
CID 62696181
4-[(2-aminoacetyl)amino]-N-cyclohexyl-3-methylbenzamide;hydrochloride
CID 119283092
N-[4-(cyclopentylcarbamoyl)-2-methylphenyl]azepane-1-carboxamide
CID 48645800
N-cyclopentyl-4-(methanesulfonamido)-3-methylbenzamide
CID 41466640
N-cyclopentyl-4-(cyclopropylcarbamoylamino)-3-methylbenzamide
CID 48645772

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide?
The IUPAC name of N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide (CID 55918125) is N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide.
What is the SMILES notation for N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide?
The canonical SMILES for N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide is Cc1cc(C(=O)NC2CCCCC2)ccc1NCc1cc(=O)n2c(C)csc2n1.
What is the InChIKey of N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide?
The InChIKey is XCJDAFFBYJBMFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-14-10-16(21(28)24-17-6-4-3-5-7-17)8-9-19(14)23-12-18-11-20(27)26-15(2)13-29-22(26)25-18/h8-11,13,17,23H,3-7,12H2,1-2H3,(H,24,28).
What are the key properties of N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide?
N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide has a molecular weight of 410.54 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-methyl-4-[(3-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidin-7-yl)methylamino]benzamide is sourced from PubChem (CID 55918125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).