2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

C12H18N6OS — CID 47314416

IUPAC2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)N(CC(=O)Nc1nncs1)Cc1cnn(C)c1
InChIInChI=1S/C12H18N6OS/c1-9(2)18(6-10-4-14-17(3)5-10)7-11(19)15-12-16-13-8-20-12/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,19)
InChIKeyYGCNBLRTYJEVNM-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.12
Rot. Bonds6

About 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide

2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (PubChem CID 47314416) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
PubChem CID47314416
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide
SMILESCC(C)N(CC(=O)Nc1nncs1)Cc1cnn(C)c1
InChIInChI=1S/C12H18N6OS/c1-9(2)18(6-10-4-14-17(3)5-10)7-11(19)15-12-16-13-8-20-12/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,19)
InChIKeyYGCNBLRTYJEVNM-UHFFFAOYSA-N
XLogP1.12
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The IUPAC name of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide (CID 47314416) is 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The canonical SMILES for 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is CC(C)N(CC(=O)Nc1nncs1)Cc1cnn(C)c1.
What is the InChIKey of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
The InChIKey is YGCNBLRTYJEVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-9(2)18(6-10-4-14-17(3)5-10)7-11(19)15-12-16-13-8-20-12/h4-5,8-9H,6-7H2,1-3H3,(H,15,16,19).
What are the key properties of 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide?
2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide has a molecular weight of 294.38 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-4-yl)methyl-propan-2-ylamino]-N-(1,3,4-thiadiazol-2-yl)acetamide is sourced from PubChem (CID 47314416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).