N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide

C13H21N5OS — CID 71925917

IUPACN-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1nsc(N2CCCN(CC(=O)NC3CC3)CC2)n1
InChIInChI=1S/C13H21N5OS/c1-10-14-13(20-16-10)18-6-2-5-17(7-8-18)9-12(19)15-11-3-4-11/h11H,2-9H2,1H3,(H,15,19)
InChIKeyUKCKXZMOOTYQLO-UHFFFAOYSA-N
MW295.41 g/mol
LogP0.64
Rot. Bonds4

About N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide

N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 71925917) has the molecular formula C13H21N5OS and a molecular weight of 295.41 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID71925917
Molecular FormulaC13H21N5OS
Molecular Weight295.41 g/mol
Exact Mass295.15
IUPAC NameN-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1nsc(N2CCCN(CC(=O)NC3CC3)CC2)n1
InChIInChI=1S/C13H21N5OS/c1-10-14-13(20-16-10)18-6-2-5-17(7-8-18)9-12(19)15-11-3-4-11/h11H,2-9H2,1H3,(H,15,19)
InChIKeyUKCKXZMOOTYQLO-UHFFFAOYSA-N
XLogP0.64
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.41
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide (CID 71925917) is N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide is Cc1nsc(N2CCCN(CC(=O)NC3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is UKCKXZMOOTYQLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS/c1-10-14-13(20-16-10)18-6-2-5-17(7-8-18)9-12(19)15-11-3-4-11/h11H,2-9H2,1H3,(H,15,19).
What are the key properties of N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 295.41 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 71925917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).