1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea

C14H20N4O2S — CID 90625530

IUPAC1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
SMILESO=C(Nc1nc2c(s1)C(=O)NCCC2)NC1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-12-11-10(7-4-8-15-12)17-14(21-11)18-13(20)16-9-5-2-1-3-6-9/h9H,1-8H2,(H,15,19)(H2,16,17,18,20)
InChIKeyGYPVZKIWXGJQSA-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.27
Rot. Bonds2

About 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea

1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea (PubChem CID 90625530) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
PubChem CID90625530
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
SMILESO=C(Nc1nc2c(s1)C(=O)NCCC2)NC1CCCCC1
InChIInChI=1S/C14H20N4O2S/c19-12-11-10(7-4-8-15-12)17-14(21-11)18-13(20)16-9-5-2-1-3-6-9/h9H,1-8H2,(H,15,19)(H2,16,17,18,20)
InChIKeyGYPVZKIWXGJQSA-UHFFFAOYSA-N
XLogP2.27
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)cyclopentanecarboxamide
CID 72719972
1-(2-fluorophenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625544
2-(1-adamantyl)-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)acetamide
CID 90625499
6-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1H-pyridazine-3-carboxamide
CID 90625272
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-1,2-oxazole-5-carboxamide
CID 90625255
1-(naphthalen-1-ylmethyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625555
1-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-3-(3-phenylpropyl)urea
CID 90625563
1-(2,3-dimethoxyphenyl)-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea
CID 90625551
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)-2-pyrazol-1-ylacetamide
CID 72719997
6-oxo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyran-3-carboxamide
CID 90625440
N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)pyridine-3-carboxamide
CID 72719984
2-iodo-N-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)benzamide
CID 90625349

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea (CID 90625530) is 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea is O=C(Nc1nc2c(s1)C(=O)NCCC2)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea?
The InChIKey is GYPVZKIWXGJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c19-12-11-10(7-4-8-15-12)17-14(21-11)18-13(20)16-9-5-2-1-3-6-9/h9H,1-8H2,(H,15,19)(H2,16,17,18,20).
What are the key properties of 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea?
1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea has a molecular weight of 308.41 g/mol, XLogP of 2.27, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-oxo-5,6,7,8-tetrahydro-[1,3]thiazolo[5,4-c]azepin-2-yl)urea is sourced from PubChem (CID 90625530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).