N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane

C15H20ClN3OS — CID 144756148

IUPACN-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
SMILESCCC.CNc1ncc(C(=O)Nc2c(C)cccc2Cl)s1
InChIInChI=1S/C12H12ClN3OS.C3H8/c1-7-4-3-5-8(13)10(7)16-11(17)9-6-15-12(14-2)18-9;1-3-2/h3-6H,1-2H3,(H,14,15)(H,16,17);3H2,1-2H3
InChIKeyPMASVXFAQZNNIH-UHFFFAOYSA-N
MW325.87 g/mol
LogP4.82
Rot. Bonds3

About N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane

N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane (PubChem CID 144756148) has the molecular formula C15H20ClN3OS and a molecular weight of 325.87 g/mol. Its IUPAC name is N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane.

Molecular Properties

Compound NameN-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
PubChem CID144756148
Molecular FormulaC15H20ClN3OS
Molecular Weight325.87 g/mol
Exact Mass325.10
IUPAC NameN-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane
SMILESCCC.CNc1ncc(C(=O)Nc2c(C)cccc2Cl)s1
InChIInChI=1S/C12H12ClN3OS.C3H8/c1-7-4-3-5-8(13)10(7)16-11(17)9-6-15-12(14-2)18-9;1-3-2/h3-6H,1-2H3,(H,14,15)(H,16,17);3H2,1-2H3
InChIKeyPMASVXFAQZNNIH-UHFFFAOYSA-N
XLogP4.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.87
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-6-methylphenyl)-2-[(6-chloro-2-methylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 11269410
N-(2-chloro-6-methylphenyl)-2-[(2-methyl-6-propylpyrimidin-4-yl)amino]-1,3-thiazole-5-carboxamide
CID 167200469
2-[[4-chloro-6-[[2-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-5-yl]amino]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600389
N-(2-chloro-6-methylphenyl)-2-[[2-methyl-6-(methylideneamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 143223112
N-(2-chloro-6-methylphenyl)-2-[[6-[[2-(hydroxyamino)-2-oxoethyl]amino]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
CID 24856897
2-[[2-chloro-6-[3-(2-hydroxyethylamino)propylamino]pyrimidin-4-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 130458816
N-(2-chloro-6-methylphenyl)-2-[[(3Z)-4-piperazin-1-yl-4-(propan-2-ylideneamino)buta-1,3-dien-2-yl]amino]-1,3-thiazole-5-carboxamide;propane
CID 144769576
tert-butyl-[5-[(2-chloro-6-methylphenyl)carbamoyl]-1,3-thiazol-2-yl]carbamic acid
CID 90258431
N-(2-chloro-6-methylphenyl)-2-[[4-(2-hydroxyethylamino)-6-phenyl-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 88917083
2-[[4,6-bis[4-(2-hydroxyethyl)piperazin-1-yl]-1,3,5-triazin-2-yl]amino]-N-(2-chloro-6-methylphenyl)-1,3-thiazole-5-carboxamide
CID 59600397
N-(2-chloro-6-methylphenyl)-2-[[4-cyclopropyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]-1,3-thiazole-5-carboxamide
CID 88917062
2,6-dichloro-N-(2-chloro-6-methylphenyl)benzamide
CID 4548334

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane?
The IUPAC name of N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane (CID 144756148) is N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane.
What is the SMILES notation for N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane?
The canonical SMILES for N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane is CCC.CNc1ncc(C(=O)Nc2c(C)cccc2Cl)s1.
What is the InChIKey of N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane?
The InChIKey is PMASVXFAQZNNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3OS.C3H8/c1-7-4-3-5-8(13)10(7)16-11(17)9-6-15-12(14-2)18-9;1-3-2/h3-6H,1-2H3,(H,14,15)(H,16,17);3H2,1-2H3.
What are the key properties of N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane?
N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane has a molecular weight of 325.87 g/mol, XLogP of 4.82, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-6-methylphenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide;propane is sourced from PubChem (CID 144756148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).