2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C11H15N5OS2 — CID 43250632

IUPAC2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1nc(N)sc1SCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H15N5OS2/c1-5-9(6(2)16-15-5)14-8(17)4-18-10-7(3)13-11(12)19-10/h4H2,1-3H3,(H2,12,13)(H,14,17)(H,15,16)
InChIKeyKZWADDCDTDDDOL-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.10
Rot. Bonds4

About 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 43250632) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID43250632
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1nc(N)sc1SCC(=O)Nc1c(C)n[nH]c1C
InChIInChI=1S/C11H15N5OS2/c1-5-9(6(2)16-15-5)14-8(17)4-18-10-7(3)13-11(12)19-10/h4H2,1-3H3,(H2,12,13)(H,14,17)(H,15,16)
InChIKeyKZWADDCDTDDDOL-UHFFFAOYSA-N
XLogP2.10
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 43250632) is 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1nc(N)sc1SCC(=O)Nc1c(C)n[nH]c1C.
What is the InChIKey of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is KZWADDCDTDDDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-5-9(6(2)16-15-5)14-8(17)4-18-10-7(3)13-11(12)19-10/h4H2,1-3H3,(H2,12,13)(H,14,17)(H,15,16).
What are the key properties of 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 297.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanyl]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 43250632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).