1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea

C18H25N5O4S3 — CID 55695716

IUPAC1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C18H25N5O4S3/c24-17(20-18-22-21-16(29-18)13-4-2-1-3-5-13)19-12-14-6-7-15(28-14)30(25,26)23-8-10-27-11-9-23/h6-7,13H,1-5,8-12H2,(H2,19,20,22,24)
InChIKeyAIUQHOYQWUJPPI-UHFFFAOYSA-N
MW471.63 g/mol
LogP2.99
Rot. Bonds6

About 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea

1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea (PubChem CID 55695716) has the molecular formula C18H25N5O4S3 and a molecular weight of 471.63 g/mol. Its IUPAC name is 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
PubChem CID55695716
Molecular FormulaC18H25N5O4S3
Molecular Weight471.63 g/mol
Exact Mass471.11
IUPAC Name1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nnc(C2CCCCC2)s1
InChIInChI=1S/C18H25N5O4S3/c24-17(20-18-22-21-16(29-18)13-4-2-1-3-5-13)19-12-14-6-7-15(28-14)30(25,26)23-8-10-27-11-9-23/h6-7,13H,1-5,8-12H2,(H2,19,20,22,24)
InChIKeyAIUQHOYQWUJPPI-UHFFFAOYSA-N
XLogP2.99
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.63
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-morpholin-4-ylsulfonylbenzamide
CID 16572020
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enamide
CID 4852771
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-5-piperidin-1-ylsulfonylfuran-2-carboxamide
CID 55630222
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 8503021
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-1-(4-fluorophenyl)sulfonylpiperidine-4-carboxamide
CID 27297656
1-(furan-2-carbonyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]piperidine-2-carboxamide
CID 55975291
N-(5-morpholin-4-ylsulfonyl-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
CID 22517558
3,4-difluoro-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311320
2-amino-3-methoxy-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]propanamide;hydrochloride
CID 120984439
1-(4-tert-butylphenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
CID 55608122
1-[5-(acetamidomethyl)thiophen-2-yl]sulfonylpiperidine-4-carboxamide
CID 154774764

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
The IUPAC name of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea (CID 55695716) is 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea.
What is the SMILES notation for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
The canonical SMILES for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)Nc1nnc(C2CCCCC2)s1.
What is the InChIKey of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
The InChIKey is AIUQHOYQWUJPPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S3/c24-17(20-18-22-21-16(29-18)13-4-2-1-3-5-13)19-12-14-6-7-15(28-14)30(25,26)23-8-10-27-11-9-23/h6-7,13H,1-5,8-12H2,(H2,19,20,22,24).
What are the key properties of 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea?
1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea has a molecular weight of 471.63 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-3-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]urea is sourced from PubChem (CID 55695716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).