2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide

C11H15N7OS — CID 75657014

IUPAC2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
SMILESCC(Sc1nnnn1C(C)C)C(=O)Nc1ncccn1
InChIInChI=1S/C11H15N7OS/c1-7(2)18-11(15-16-17-18)20-8(3)9(19)14-10-12-5-4-6-13-10/h4-8H,1-3H3,(H,12,13,14,19)
InChIKeyPKGBIEGBLLXCNL-UHFFFAOYSA-N
MW293.36 g/mol
LogP1.16
Rot. Bonds5

About 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide

2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide (PubChem CID 75657014) has the molecular formula C11H15N7OS and a molecular weight of 293.36 g/mol. Its IUPAC name is 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide.

Molecular Properties

Compound Name2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
PubChem CID75657014
Molecular FormulaC11H15N7OS
Molecular Weight293.36 g/mol
Exact Mass293.11
IUPAC Name2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide
SMILESCC(Sc1nnnn1C(C)C)C(=O)Nc1ncccn1
InChIInChI=1S/C11H15N7OS/c1-7(2)18-11(15-16-17-18)20-8(3)9(19)14-10-12-5-4-6-13-10/h4-8H,1-3H3,(H,12,13,14,19)
InChIKeyPKGBIEGBLLXCNL-UHFFFAOYSA-N
XLogP1.16
TPSA98.48 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

CID 3691663
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CID 660581
CID 660581
CID 1429102
CID 1429102
CID 2171386
CID 2171386
CID 2928978
CID 2928978
CID 6459582
CID 6459582
CID 6852101
CID 6852101
CID 17411298
CID 17411298
CID 29140567
CID 29140567
CID 2168902
CID 2168902
CID 709550
CID 709550
CID 1075880
CID 1075880

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
The IUPAC name of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide (CID 75657014) is 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide.
What is the SMILES notation for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
The canonical SMILES for 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide is CC(Sc1nnnn1C(C)C)C(=O)Nc1ncccn1.
What is the InChIKey of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
The InChIKey is PKGBIEGBLLXCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7OS/c1-7(2)18-11(15-16-17-18)20-8(3)9(19)14-10-12-5-4-6-13-10/h4-8H,1-3H3,(H,12,13,14,19).
What are the key properties of 2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide?
2-(1-propan-2-yltetrazol-5-yl)sulfanyl-N-pyrimidin-2-ylpropanamide has a molecular weight of 293.36 g/mol, XLogP of 1.16, 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-pyrimidin-2-ylpropanamide is sourced from PubChem (CID 75657014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).