4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide

C15H20N4OS — CID 97129067

IUPAC4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N[C@H](C)Cc1cnccn1
InChIInChI=1S/C15H20N4OS/c1-9(2)15-19-11(4)13(21-15)14(20)18-10(3)7-12-8-16-5-6-17-12/h5-6,8-10H,7H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyTUTHUKVBPCBKCT-SNVBAGLBSA-N
MW304.42 g/mol
LogP2.73
Rot. Bonds5

About 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide

4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide (PubChem CID 97129067) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
PubChem CID97129067
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)C)sc1C(=O)N[C@H](C)Cc1cnccn1
InChIInChI=1S/C15H20N4OS/c1-9(2)15-19-11(4)13(21-15)14(20)18-10(3)7-12-8-16-5-6-17-12/h5-6,8-10H,7H2,1-4H3,(H,18,20)/t10-/m1/s1
InChIKeyTUTHUKVBPCBKCT-SNVBAGLBSA-N
XLogP2.73
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide (CID 97129067) is 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide is Cc1nc(C(C)C)sc1C(=O)N[C@H](C)Cc1cnccn1.
What is the InChIKey of 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
The InChIKey is TUTHUKVBPCBKCT-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-9(2)15-19-11(4)13(21-15)14(20)18-10(3)7-12-8-16-5-6-17-12/h5-6,8-10H,7H2,1-4H3,(H,18,20)/t10-/m1/s1.
What are the key properties of 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide?
4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-propan-2-yl-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 97129067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).