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

C11H16N2OS — CID 71941859

IUPACN-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CC1
InChIInChI=1S/C11H16N2OS/c1-6(2)11-12-7(3)9(15-11)10(14)13-8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyGSYUNFNMNNZYTF-UHFFFAOYSA-N
MW224.33 g/mol
LogP2.47
Rot. Bonds3

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

N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 71941859) has the molecular formula C11H16N2OS and a molecular weight of 224.33 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID71941859
Molecular FormulaC11H16N2OS
Molecular Weight224.33 g/mol
Exact Mass224.10
IUPAC NameN-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)NC1CC1
InChIInChI=1S/C11H16N2OS/c1-6(2)11-12-7(3)9(15-11)10(14)13-8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14)
InChIKeyGSYUNFNMNNZYTF-UHFFFAOYSA-N
XLogP2.47
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide (CID 71941859) is N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is GSYUNFNMNNZYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2OS/c1-6(2)11-12-7(3)9(15-11)10(14)13-8-4-5-8/h6,8H,4-5H2,1-3H3,(H,13,14).
What are the key properties of N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide?
N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 224.33 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 71941859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).