propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

C19H28N2O3S — CID 139819570

IUPACpropan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCC(C)OC(=O)C1=C2SC=C(CC(=O)NC3CCCCC3)N2CC1C
InChIInChI=1S/C19H28N2O3S/c1-12(2)24-19(23)17-13(3)10-21-15(11-25-18(17)21)9-16(22)20-14-7-5-4-6-8-14/h11-14H,4-10H2,1-3H3,(H,20,22)
InChIKeyHZWZCZIEWZMRAW-UHFFFAOYSA-N
MW364.51 g/mol
LogP3.53
Rot. Bonds5

About propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate

propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (PubChem CID 139819570) has the molecular formula C19H28N2O3S and a molecular weight of 364.51 g/mol. Its IUPAC name is propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
PubChem CID139819570
Molecular FormulaC19H28N2O3S
Molecular Weight364.51 g/mol
Exact Mass364.18
IUPAC Namepropan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate
SMILESCC(C)OC(=O)C1=C2SC=C(CC(=O)NC3CCCCC3)N2CC1C
InChIInChI=1S/C19H28N2O3S/c1-12(2)24-19(23)17-13(3)10-21-15(11-25-18(17)21)9-16(22)20-14-7-5-4-6-8-14/h11-14H,4-10H2,1-3H3,(H,20,22)
InChIKeyHZWZCZIEWZMRAW-UHFFFAOYSA-N
XLogP3.53
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.51
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

propan-2-yl (5S)-3-[2-(cyclopropylamino)-2-oxoethyl]-7-methyl-5-(4-nitrophenyl)-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 98356663
propan-2-yl 7-methyl-5-(3-methylphenyl)-3-[2-[(1-methylpiperidin-4-yl)amino]-2-oxoethyl]-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112247
(2R)-5-(cyclohexylamino)-2-methyl-5-oxopentanoic acid
CID 2200165
propan-2-yl N-[3-[2-(cyclohexylamino)-2-oxoethyl]phenyl]carbamate
CID 54406188
propan-2-yl N-cyclooctylcarbamate
CID 116653938
methyl 3-[2-(cyclohexylamino)-2-oxoethyl]-5-(2,4-dimethylphenyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46172261
methyl 3-[2-(cyclohexylamino)-2-oxoethyl]-7-ethyl-5-phenyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112020
N-cyclohexyl-2-(2,4-dimethylphenyl)acetamide
CID 56922648
N-cyclopentyl-2-[(4,5-dimethylthiophen-2-yl)methylamino]propanamide
CID 65244170
methyl 3-[2-(cyclohexylamino)-2-oxoethyl]-5-(2,5-dimethylphenyl)-7-ethyl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 46112137
N-cyclopentyl-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 43402010
[1-(cyclohexylamino)-1-oxopropan-2-yl] 3-amino-4,6-dimethylthieno[2,3-b]pyridine-2-carboxylate
CID 46696989

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The IUPAC name of propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate (CID 139819570) is propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate.
What is the SMILES notation for propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The canonical SMILES for propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is CC(C)OC(=O)C1=C2SC=C(CC(=O)NC3CCCCC3)N2CC1C.
What is the InChIKey of propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
The InChIKey is HZWZCZIEWZMRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3S/c1-12(2)24-19(23)17-13(3)10-21-15(11-25-18(17)21)9-16(22)20-14-7-5-4-6-8-14/h11-14H,4-10H2,1-3H3,(H,20,22).
What are the key properties of propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate?
propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate has a molecular weight of 364.51 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-[2-(cyclohexylamino)-2-oxoethyl]-6-methyl-5,6-dihydropyrrolo[2,1-b][1,3]thiazole-7-carboxylate is sourced from PubChem (CID 139819570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).