4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide

C16H21N5O2S — CID 90633362

IUPAC4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H21N5O2S/c1-2-4-13-14(24-21-20-13)15(22)19-11-5-7-12(8-6-11)23-16-17-9-3-10-18-16/h3,9-12H,2,4-8H2,1H3,(H,19,22)
InChIKeyOCMYBODWECQHKV-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.40
Rot. Bonds6

About 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide

4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide (PubChem CID 90633362) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide
PubChem CID90633362
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)NC1CCC(Oc2ncccn2)CC1
InChIInChI=1S/C16H21N5O2S/c1-2-4-13-14(24-21-20-13)15(22)19-11-5-7-12(8-6-11)23-16-17-9-3-10-18-16/h3,9-12H,2,4-8H2,1H3,(H,19,22)
InChIKeyOCMYBODWECQHKV-UHFFFAOYSA-N
XLogP2.40
TPSA89.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide (CID 90633362) is 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide is CCCc1nnsc1C(=O)NC1CCC(Oc2ncccn2)CC1.
What is the InChIKey of 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide?
The InChIKey is OCMYBODWECQHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-2-4-13-14(24-21-20-13)15(22)19-11-5-7-12(8-6-11)23-16-17-9-3-10-18-16/h3,9-12H,2,4-8H2,1H3,(H,19,22).
What are the key properties of 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide?
4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-(4-pyrimidin-2-yloxycyclohexyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 90633362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).