cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate

C20H22N4O2S — CID 134203900

IUPACcyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCc1ncc(-c2ccc3nc(N)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C20H22N4O2S/c1-12-17(24-20(25)26-15-5-3-2-4-6-15)9-14(11-22-12)13-7-8-16-18(10-13)27-19(21)23-16/h7-11,15H,2-6H2,1H3,(H2,21,23)(H,24,25)
InChIKeyCHIALCCOCRKKTO-UHFFFAOYSA-N
MW382.49 g/mol
LogP5.13
Rot. Bonds3

About cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate

cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate (PubChem CID 134203900) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate.

Molecular Properties

Compound Namecyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
PubChem CID134203900
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC Namecyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate
SMILESCc1ncc(-c2ccc3nc(N)sc3c2)cc1NC(=O)OC1CCCCC1
InChIInChI=1S/C20H22N4O2S/c1-12-17(24-20(25)26-15-5-3-2-4-6-15)9-14(11-22-12)13-7-8-16-18(10-13)27-19(21)23-16/h7-11,15H,2-6H2,1H3,(H2,21,23)(H,24,25)
InChIKeyCHIALCCOCRKKTO-UHFFFAOYSA-N
XLogP5.13
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.49
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The IUPAC name of cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate (CID 134203900) is cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate.
What is the SMILES notation for cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The canonical SMILES for cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate is Cc1ncc(-c2ccc3nc(N)sc3c2)cc1NC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
The InChIKey is CHIALCCOCRKKTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-12-17(24-20(25)26-15-5-3-2-4-6-15)9-14(11-22-12)13-7-8-16-18(10-13)27-19(21)23-16/h7-11,15H,2-6H2,1H3,(H2,21,23)(H,24,25).
What are the key properties of cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate?
cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate has a molecular weight of 382.49 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-[5-(2-amino-1,3-benzothiazol-6-yl)-2-methyl-3-pyridinyl]carbamate is sourced from PubChem (CID 134203900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).