4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide

C9H14N2OS — CID 110696267

IUPAC4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC(C)C)sc1C
InChIInChI=1S/C9H14N2OS/c1-5(2)10-8(12)9-11-6(3)7(4)13-9/h5H,1-4H3,(H,10,12)
InChIKeyMKKSZWOHOAUZPO-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.90
Rot. Bonds2

About 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide

4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 110696267) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID110696267
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCc1nc(C(=O)NC(C)C)sc1C
InChIInChI=1S/C9H14N2OS/c1-5(2)10-8(12)9-11-6(3)7(4)13-9/h5H,1-4H3,(H,10,12)
InChIKeyMKKSZWOHOAUZPO-UHFFFAOYSA-N
XLogP1.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide (CID 110696267) is 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide is Cc1nc(C(=O)NC(C)C)sc1C.
What is the InChIKey of 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is MKKSZWOHOAUZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-5(2)10-8(12)9-11-6(3)7(4)13-9/h5H,1-4H3,(H,10,12).
What are the key properties of 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide?
4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 198.29 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 110696267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).