N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide

C10H16N2OS — CID 176998061

IUPACN,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C10H16N2OS/c1-6(2)8-5-14-10(12-8)9(13)11-7(3)4/h5-7H,1-4H3,(H,11,13)
InChIKeyLADCMNGMAAWJEL-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.40
Rot. Bonds3

About N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide

N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 176998061) has the molecular formula C10H16N2OS and a molecular weight of 212.32 g/mol. Its IUPAC name is N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID176998061
Molecular FormulaC10H16N2OS
Molecular Weight212.32 g/mol
Exact Mass212.10
IUPAC NameN,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide
SMILESCC(C)NC(=O)c1nc(C(C)C)cs1
InChIInChI=1S/C10H16N2OS/c1-6(2)8-5-14-10(12-8)9(13)11-7(3)4/h5-7H,1-4H3,(H,11,13)
InChIKeyLADCMNGMAAWJEL-UHFFFAOYSA-N
XLogP2.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide (CID 176998061) is N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide is CC(C)NC(=O)c1nc(C(C)C)cs1.
What is the InChIKey of N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is LADCMNGMAAWJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2OS/c1-6(2)8-5-14-10(12-8)9(13)11-7(3)4/h5-7H,1-4H3,(H,11,13).
What are the key properties of N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide?
N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 212.32 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-di(propan-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 176998061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).