N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide

C10H16N2OS — CID 56972495

IUPACN-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(C(C)C)c(C)n1C
InChIInChI=1S/C10H16N2OS/c1-6(2)9-7(3)12(5)10(14-9)11-8(4)13/h6H,1-5H3/b11-10-
InChIKeyGYCJSPAYBDCCRT-KHPPLWFESA-N
MW212.32 g/mol
LogP1.97
Rot. Bonds1

About N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide

N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide (PubChem CID 56972495) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide
PubChem CID56972495
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide
SMILESCC(=O)/N=c1\sc(C(C)C)c(C)n1C
InChIInChI=1S/C10H16N2OS/c1-6(2)9-7(3)12(5)10(14-9)11-8(4)13/h6H,1-5H3/b11-10-
InChIKeyGYCJSPAYBDCCRT-KHPPLWFESA-N
XLogP1.97
TPSA34.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide?
The IUPAC name of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide (CID 56972495) is N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide.
What is the SMILES notation for N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide?
The canonical SMILES for N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide is CC(=O)/N=c1\sc(C(C)C)c(C)n1C.
What is the InChIKey of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide?
The InChIKey is GYCJSPAYBDCCRT-KHPPLWFESA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)9-7(3)12(5)10(14-9)11-8(4)13/h6H,1-5H3/b11-10-.
What are the key properties of N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide?
N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide has a molecular weight of 212.32 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-5-propan-2-yl-1,3-thiazol-2-ylidene)acetamide is sourced from PubChem (CID 56972495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).