(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide

C15H16N6OS — CID 97145040

IUPAC(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCc1csc(-c2cnccn2)n1)n1cccn1
InChIInChI=1S/C15H16N6OS/c1-2-13(21-7-3-4-19-21)14(22)18-8-11-10-23-15(20-11)12-9-16-5-6-17-12/h3-7,9-10,13H,2,8H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyLPBUSFMLTRMVBU-ZDUSSCGKSA-N
MW328.40 g/mol
LogP2.06
Rot. Bonds6

About (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide

(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide (PubChem CID 97145040) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide.

Molecular Properties

Compound Name(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
PubChem CID97145040
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide
SMILESCC[C@@H](C(=O)NCc1csc(-c2cnccn2)n1)n1cccn1
InChIInChI=1S/C15H16N6OS/c1-2-13(21-7-3-4-19-21)14(22)18-8-11-10-23-15(20-11)12-9-16-5-6-17-12/h3-7,9-10,13H,2,8H2,1H3,(H,18,22)/t13-/m0/s1
InChIKeyLPBUSFMLTRMVBU-ZDUSSCGKSA-N
XLogP2.06
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2R)-2-pyrazol-1-yl-N-[(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 97156398
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]imidazo[1,2-a]pyrimidine-3-carboxamide
CID 131894963
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
1-methyl-3-(2-methylpropyl)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyrazole-5-carboxamide
CID 50966241
(2R)-N-[[3-(2-methylpropyl)-1,2-oxazol-5-yl]methyl]-2-pyrazol-1-ylbutanamide
CID 97148644
(2R)-N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-2-pyrazol-1-ylbutanamide
CID 97133199
4-propan-2-yl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]thiadiazole-5-carboxamide
CID 131920068
1-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]indazole-3-carboxamide
CID 131902698
(2R)-2-pyrazol-1-yl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)butanamide
CID 97144566
1,4,6-trimethyl-2-oxo-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 131950032
2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 131928986

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
The IUPAC name of (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide (CID 97145040) is (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide.
What is the SMILES notation for (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
The canonical SMILES for (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide is CC[C@@H](C(=O)NCc1csc(-c2cnccn2)n1)n1cccn1.
What is the InChIKey of (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
The InChIKey is LPBUSFMLTRMVBU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-2-13(21-7-3-4-19-21)14(22)18-8-11-10-23-15(20-11)12-9-16-5-6-17-12/h3-7,9-10,13H,2,8H2,1H3,(H,18,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide?
(2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide has a molecular weight of 328.40 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrazol-1-ylbutanamide is sourced from PubChem (CID 97145040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).