N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide

C10H15N3OS — CID 146393414

IUPACN-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2nncs2)CC1
InChIInChI=1S/C10H15N3OS/c1-7(14)12-9-4-2-8(3-5-9)10-13-11-6-15-10/h6,8-9H,2-5H2,1H3,(H,12,14)
InChIKeyVLCXDAAMWQBHOU-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.70
Rot. Bonds2

About N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide

N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide (PubChem CID 146393414) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide
PubChem CID146393414
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC NameN-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide
SMILESCC(=O)NC1CCC(c2nncs2)CC1
InChIInChI=1S/C10H15N3OS/c1-7(14)12-9-4-2-8(3-5-9)10-13-11-6-15-10/h6,8-9H,2-5H2,1H3,(H,12,14)
InChIKeyVLCXDAAMWQBHOU-UHFFFAOYSA-N
XLogP1.70
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide?
The IUPAC name of N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide (CID 146393414) is N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide.
What is the SMILES notation for N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide?
The canonical SMILES for N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide is CC(=O)NC1CCC(c2nncs2)CC1.
What is the InChIKey of N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide?
The InChIKey is VLCXDAAMWQBHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7(14)12-9-4-2-8(3-5-9)10-13-11-6-15-10/h6,8-9H,2-5H2,1H3,(H,12,14).
What are the key properties of N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide?
N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide has a molecular weight of 225.32 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3,4-thiadiazol-2-yl)cyclohexyl]acetamide is sourced from PubChem (CID 146393414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).