N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

C14H18N2O2S — CID 158094356

IUPACN-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCCC(CO)NC(=O)C1=CC(c2csc(C)n2)=CC1
InChIInChI=1S/C14H18N2O2S/c1-3-12(7-17)16-14(18)11-5-4-10(6-11)13-8-19-9(2)15-13/h4,6,8,12,17H,3,5,7H2,1-2H3,(H,16,18)
InChIKeyFOMJQMOBQBLTCU-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.05
Rot. Bonds5

About N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide

N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 158094356) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID158094356
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCCC(CO)NC(=O)C1=CC(c2csc(C)n2)=CC1
InChIInChI=1S/C14H18N2O2S/c1-3-12(7-17)16-14(18)11-5-4-10(6-11)13-8-19-9(2)15-13/h4,6,8,12,17H,3,5,7H2,1-2H3,(H,16,18)
InChIKeyFOMJQMOBQBLTCU-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (CID 158094356) is N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is CCC(CO)NC(=O)C1=CC(c2csc(C)n2)=CC1.
What is the InChIKey of N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is FOMJQMOBQBLTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-3-12(7-17)16-14(18)11-5-4-10(6-11)13-8-19-9(2)15-13/h4,6,8,12,17H,3,5,7H2,1-2H3,(H,16,18).
What are the key properties of N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 278.38 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxybutan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 158094356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).