methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate

C14H21N3O4S2 — CID 90529232

IUPACmethyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CCCCC1)CC2
InChIInChI=1S/C14H21N3O4S2/c1-21-14(18)16-13-15-11-7-8-17(9-12(11)22-13)23(19,20)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyVNZQGHLJFHRFBT-UHFFFAOYSA-N
MW359.47 g/mol
LogP2.34
Rot. Bonds3

About methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate

methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate (PubChem CID 90529232) has the molecular formula C14H21N3O4S2 and a molecular weight of 359.47 g/mol. Its IUPAC name is methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
PubChem CID90529232
Molecular FormulaC14H21N3O4S2
Molecular Weight359.47 g/mol
Exact Mass359.10
IUPAC Namemethyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate
SMILESCOC(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CCCCC1)CC2
InChIInChI=1S/C14H21N3O4S2/c1-21-14(18)16-13-15-11-7-8-17(9-12(11)22-13)23(19,20)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,15,16,18)
InChIKeyVNZQGHLJFHRFBT-UHFFFAOYSA-N
XLogP2.34
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate with MolForge

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Related Compounds

N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-3-carboxamide
CID 90532340
methyl N-[5-(4-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529167
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-4-(dimethylamino)benzamide
CID 90530814
N-[5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]cyclohexanecarboxamide
CID 50832310
1-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-(3,4-dimethylphenyl)urea
CID 90530843
methyl N-[5-(2,5-difluorophenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529220
methyl N-[5-(5-chloro-2-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529206
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 90530823
methyl N-[5-(2-methoxy-5-methylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]carbamate
CID 90529195
N-(5-cyclopropylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71788210
methyl N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)carbamate
CID 115571632
2-cyclopentyl-N-(5-propan-2-ylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 90532688

Frequently Asked Questions

What is the IUPAC name of methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The IUPAC name of methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate (CID 90529232) is methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate.
What is the SMILES notation for methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The canonical SMILES for methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate is COC(=O)Nc1nc2c(s1)CN(S(=O)(=O)C1CCCCC1)CC2.
What is the InChIKey of methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
The InChIKey is VNZQGHLJFHRFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S2/c1-21-14(18)16-13-15-11-7-8-17(9-12(11)22-13)23(19,20)10-5-3-2-4-6-10/h10H,2-9H2,1H3,(H,15,16,18).
What are the key properties of methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate?
methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate has a molecular weight of 359.47 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(5-cyclohexylsulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)carbamate is sourced from PubChem (CID 90529232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).