(5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide

C12H14N2OS — CID 67562652

IUPAC(5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide
SMILESCC[C@@]1(C)C=CC(C(N)=O)=c2scnc2=C1
InChIInChI=1S/C12H14N2OS/c1-3-12(2)5-4-8(11(13)15)10-9(6-12)14-7-16-10/h4-7H,3H2,1-2H3,(H2,13,15)/t12-/m0/s1
InChIKeyHHVJZRUNNVMKFQ-LBPRGKRZSA-N
MW234.32 g/mol
LogP0.55
Rot. Bonds2

About (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide

(5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide (PubChem CID 67562652) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide.

Molecular Properties

Compound Name(5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide
PubChem CID67562652
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name(5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide
SMILESCC[C@@]1(C)C=CC(C(N)=O)=c2scnc2=C1
InChIInChI=1S/C12H14N2OS/c1-3-12(2)5-4-8(11(13)15)10-9(6-12)14-7-16-10/h4-7H,3H2,1-2H3,(H2,13,15)/t12-/m0/s1
InChIKeyHHVJZRUNNVMKFQ-LBPRGKRZSA-N
XLogP0.55
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide?
The IUPAC name of (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide (CID 67562652) is (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide.
What is the SMILES notation for (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide?
The canonical SMILES for (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide is CC[C@@]1(C)C=CC(C(N)=O)=c2scnc2=C1.
What is the InChIKey of (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide?
The InChIKey is HHVJZRUNNVMKFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-3-12(2)5-4-8(11(13)15)10-9(6-12)14-7-16-10/h4-7H,3H2,1-2H3,(H2,13,15)/t12-/m0/s1.
What are the key properties of (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide?
(5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide has a molecular weight of 234.32 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-5-methylcyclohepta[d][1,3]thiazole-8-carboxamide is sourced from PubChem (CID 67562652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).