N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide

C15H20N2O2S — CID 177202157

IUPACN-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide
SMILESCc1ncsc1C1C=C(OC(C)C)C(CNC=O)=CC1
InChIInChI=1S/C15H20N2O2S/c1-10(2)19-14-6-12(15-11(3)17-9-20-15)4-5-13(14)7-16-8-18/h5-6,8-10,12H,4,7H2,1-3H3,(H,16,18)
InChIKeyMLPPQLSFALKASG-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.92
Rot. Bonds6

About N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide

N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide (PubChem CID 177202157) has the molecular formula C15H20N2O2S and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide.

Molecular Properties

Compound NameN-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide
PubChem CID177202157
Molecular FormulaC15H20N2O2S
Molecular Weight292.40 g/mol
Exact Mass292.12
IUPAC NameN-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide
SMILESCc1ncsc1C1C=C(OC(C)C)C(CNC=O)=CC1
InChIInChI=1S/C15H20N2O2S/c1-10(2)19-14-6-12(15-11(3)17-9-20-15)4-5-13(14)7-16-8-18/h5-6,8-10,12H,4,7H2,1-3H3,(H,16,18)
InChIKeyMLPPQLSFALKASG-UHFFFAOYSA-N
XLogP2.92
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-acetamido-3,3-dimethylbutanoyl)-N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]pyrrolidine-2-carboxamide
CID 177202004
N-[[6-(4-methyl-1,3-thiazol-5-yl)-3-pyridinyl]methyl]formamide
CID 170584451
N-[[5-(4-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]methyl]formamide
CID 163400924
1,2-dimethylpyrrolidine;3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanal;N-[3-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)cyclohexa-1,5-dien-1-yl]butyl]formamide
CID 178102299
1-(3-hydroxypyrrolidin-1-yl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone;N-[[4-(4-methyl-1,3-thiazol-5-yl)-2-propan-2-yloxyphenyl]methyl]formamide;propane
CID 176683442
2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one;N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]formamide
CID 171072768
N-(cyclopentylmethyl)-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43775593
N-[(6-amino-2-methyl-4-propan-2-yl-3-pyridinyl)methyl]formamide
CID 145206817
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129003995
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
(4R,5R)-4-amino-1-methyl-5-(4-methyl-1,3-thiazol-5-yl)pyrrolidin-2-one
CID 178196581
4-methyl-5-(4-prop-1-en-2-ylcyclohexyl)-1,3-thiazole
CID 176552899

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide?
The IUPAC name of N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide (CID 177202157) is N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide.
What is the SMILES notation for N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide?
The canonical SMILES for N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide is Cc1ncsc1C1C=C(OC(C)C)C(CNC=O)=CC1.
What is the InChIKey of N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide?
The InChIKey is MLPPQLSFALKASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2S/c1-10(2)19-14-6-12(15-11(3)17-9-20-15)4-5-13(14)7-16-8-18/h5-6,8-10,12H,4,7H2,1-3H3,(H,16,18).
What are the key properties of N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide?
N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide has a molecular weight of 292.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-methyl-1,3-thiazol-5-yl)-6-propan-2-yloxycyclohexa-1,5-dien-1-yl]methyl]formamide is sourced from PubChem (CID 177202157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).