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

C14H18N2O2S — CID 160668681

IUPACN-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)NC(C)(C)CO)=C2)cs1
InChIInChI=1S/C14H18N2O2S/c1-9-15-12(7-19-9)10-4-5-11(6-10)13(18)16-14(2,3)8-17/h4,6-7,17H,5,8H2,1-3H3,(H,16,18)
InChIKeyRMQKJRDIJZZKCO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.05
Rot. Bonds4

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

N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 160668681) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID160668681
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC NameN-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide
SMILESCc1nc(C2=CCC(C(=O)NC(C)(C)CO)=C2)cs1
InChIInChI=1S/C14H18N2O2S/c1-9-15-12(7-19-9)10-4-5-11(6-10)13(18)16-14(2,3)8-17/h4,6-7,17H,5,8H2,1-3H3,(H,16,18)
InChIKeyRMQKJRDIJZZKCO-UHFFFAOYSA-N
XLogP2.05
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide (CID 160668681) is N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is Cc1nc(C2=CCC(C(=O)NC(C)(C)CO)=C2)cs1.
What is the InChIKey of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is RMQKJRDIJZZKCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2S/c1-9-15-12(7-19-9)10-4-5-11(6-10)13(18)16-14(2,3)8-17/h4,6-7,17H,5,8H2,1-3H3,(H,16,18).
What are the key properties of N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide?
N-(1-hydroxy-2-methylpropan-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, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-2-methylpropan-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 160668681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).