(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate

C19H25N3O5S — CID 11361800

IUPAC(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)OC3CCC(O)CC3)nc12
InChIInChI=1S/C19H25N3O5S/c1-25-15-7-6-14(22-8-10-26-11-9-22)17-16(15)20-18(28-17)21-19(24)27-13-4-2-12(23)3-5-13/h6-7,12-13,23H,2-5,8-11H2,1H3,(H,20,21,24)
InChIKeyLOVQLZBVFFQCOA-UHFFFAOYSA-N
MW407.49 g/mol
LogP2.99
Rot. Bonds4

About (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate

(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate (PubChem CID 11361800) has the molecular formula C19H25N3O5S and a molecular weight of 407.49 g/mol. Its IUPAC name is (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate.

Molecular Properties

Compound Name(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate
PubChem CID11361800
Molecular FormulaC19H25N3O5S
Molecular Weight407.49 g/mol
Exact Mass407.15
IUPAC Name(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate
SMILESCOc1ccc(N2CCOCC2)c2sc(NC(=O)OC3CCC(O)CC3)nc12
InChIInChI=1S/C19H25N3O5S/c1-25-15-7-6-14(22-8-10-26-11-9-22)17-16(15)20-18(28-17)21-19(24)27-13-4-2-12(23)3-5-13/h6-7,12-13,23H,2-5,8-11H2,1H3,(H,20,21,24)
InChIKeyLOVQLZBVFFQCOA-UHFFFAOYSA-N
XLogP2.99
TPSA93.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.49
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-(18F)fluoro-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)piperidine-1-carboxamide
CID 162675230
(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283121
1-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-3-(oxan-4-yl)urea
CID 10172866
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methylpropanamide
CID 22283227
[(1S,3R)-3-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxoethyl]cyclopentyl] acetate
CID 11561101
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-5-methylthiophene-2-carboxamide
CID 86584913
methyl N-[2-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]-2-oxo-1-piperidin-4-ylethyl]carbamate
CID 87471895
1-[2-(dimethylamino)ethyl]-3-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)urea
CID 22283206
4-hydroxy-N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-methylpiperidine-1-carboxamide
CID 11618368
methyl 6-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamoylamino]hexanoate
CID 175024604
N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)-2-methyloctanamide
CID 142252388
iodo-[(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)amino]methanol
CID 163815671

Frequently Asked Questions

What is the IUPAC name of (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate?
The IUPAC name of (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate (CID 11361800) is (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate.
What is the SMILES notation for (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate?
The canonical SMILES for (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate is COc1ccc(N2CCOCC2)c2sc(NC(=O)OC3CCC(O)CC3)nc12.
What is the InChIKey of (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate?
The InChIKey is LOVQLZBVFFQCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O5S/c1-25-15-7-6-14(22-8-10-26-11-9-22)17-16(15)20-18(28-17)21-19(24)27-13-4-2-12(23)3-5-13/h6-7,12-13,23H,2-5,8-11H2,1H3,(H,20,21,24).
What are the key properties of (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate?
(4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate has a molecular weight of 407.49 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxycyclohexyl) N-(4-methoxy-7-morpholin-4-yl-1,3-benzothiazol-2-yl)carbamate is sourced from PubChem (CID 11361800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).