2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H19N7OS — CID 38132468

IUPAC2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nnnn1C(C)C
InChIInChI=1S/C12H19N7OS/c1-7(2)19-12(14-16-17-19)21-6-10(20)13-11-8(3)15-18(5)9(11)4/h7H,6H2,1-5H3,(H,13,20)
InChIKeyPDADLVMYPUKLPU-UHFFFAOYSA-N
MW309.40 g/mol
LogP1.34
Rot. Bonds5

About 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide

2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 38132468) has the molecular formula C12H19N7OS and a molecular weight of 309.40 g/mol. Its IUPAC name is 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID38132468
Molecular FormulaC12H19N7OS
Molecular Weight309.40 g/mol
Exact Mass309.14
IUPAC Name2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCc1nn(C)c(C)c1NC(=O)CSc1nnnn1C(C)C
InChIInChI=1S/C12H19N7OS/c1-7(2)19-12(14-16-17-19)21-6-10(20)13-11-8(3)15-18(5)9(11)4/h7H,6H2,1-5H3,(H,13,20)
InChIKeyPDADLVMYPUKLPU-UHFFFAOYSA-N
XLogP1.34
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-methylsulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 47006977
2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 40647326
N-(2-chlorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 26428369
N-(2-methyl-5-nitrophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139065
2-(3-amino-2-methylphenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79128373
N-(5-chloro-2-fluorophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 17413017
N-(2-methoxyphenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 1452360
4-hydroxy-N-(1,3,5-trimethylpyrazol-4-yl)pentanamide
CID 79192900
2-methoxy-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 60717287
2-(4-amino-3-chlorophenyl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 79129071
N-(2-chloro-5-nitrophenyl)-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 27139007
N-[2-(difluoromethoxy)phenyl]-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
CID 38131882

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 38132468) is 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is Cc1nn(C)c(C)c1NC(=O)CSc1nnnn1C(C)C.
What is the InChIKey of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is PDADLVMYPUKLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7OS/c1-7(2)19-12(14-16-17-19)21-6-10(20)13-11-8(3)15-18(5)9(11)4/h7H,6H2,1-5H3,(H,13,20).
What are the key properties of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide?
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 309.40 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 38132468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).