1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

C14H19N3OS — CID 135649535

IUPAC1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1C1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-9-8-19-14(16-9)12-11(18)7-17(13(12)15)10-5-3-2-4-6-10/h8,10,15,18H,2-7H2,1H3/b15-13-
InChIKeyFKTUFMSWMQQKRV-SQFISAMPSA-N
MW277.39 g/mol
LogP3.35
Rot. Bonds2

About 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol

1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol (PubChem CID 135649535) has the molecular formula C14H19N3OS and a molecular weight of 277.39 g/mol. Its IUPAC name is 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol.

Molecular Properties

Compound Name1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
PubChem CID135649535
Molecular FormulaC14H19N3OS
Molecular Weight277.39 g/mol
Exact Mass277.12
IUPAC Name1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol
SMILES[H]/N=C1/C(c2nc(C)cs2)=C(O)CN1C1CCCCC1
InChIInChI=1S/C14H19N3OS/c1-9-8-19-14(16-9)12-11(18)7-17(13(12)15)10-5-3-2-4-6-10/h8,10,15,18H,2-7H2,1H3/b15-13-
InChIKeyFKTUFMSWMQQKRV-SQFISAMPSA-N
XLogP3.35
TPSA60.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The IUPAC name of 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol (CID 135649535) is 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol.
What is the SMILES notation for 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The canonical SMILES for 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol is [H]/N=C1/C(c2nc(C)cs2)=C(O)CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
The InChIKey is FKTUFMSWMQQKRV-SQFISAMPSA-N. The full InChI is InChI=1S/C14H19N3OS/c1-9-8-19-14(16-9)12-11(18)7-17(13(12)15)10-5-3-2-4-6-10/h8,10,15,18H,2-7H2,1H3/b15-13-.
What are the key properties of 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol?
1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol has a molecular weight of 277.39 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-imino-4-(4-methyl-1,3-thiazol-2-yl)-2H-pyrrol-3-ol is sourced from PubChem (CID 135649535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).