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

C14H23N5OS — CID 71925921

IUPACN-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide
SMILESCc1nsc(N2CCCN(C(C)C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-10(13(20)16-12-4-5-12)18-6-3-7-19(9-8-18)14-15-11(2)17-21-14/h10,12H,3-9H2,1-2H3,(H,16,20)
InChIKeyWFSCQMFHZLARPX-UHFFFAOYSA-N
MW309.44 g/mol
LogP1.03
Rot. Bonds4

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

N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide (PubChem CID 71925921) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide
PubChem CID71925921
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide
SMILESCc1nsc(N2CCCN(C(C)C(=O)NC3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-10(13(20)16-12-4-5-12)18-6-3-7-19(9-8-18)14-15-11(2)17-21-14/h10,12H,3-9H2,1-2H3,(H,16,20)
InChIKeyWFSCQMFHZLARPX-UHFFFAOYSA-N
XLogP1.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.03
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]propanamide?
The IUPAC name of N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide (CID 71925921) is N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide?
The canonical SMILES for N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide is Cc1nsc(N2CCCN(C(C)C(=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]propanamide?
The InChIKey is WFSCQMFHZLARPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-10(13(20)16-12-4-5-12)18-6-3-7-19(9-8-18)14-15-11(2)17-21-14/h10,12H,3-9H2,1-2H3,(H,16,20).
What are the key properties of N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide?
N-cyclopropyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]propanamide has a molecular weight of 309.44 g/mol, XLogP of 1.03, 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]propanamide is sourced from PubChem (CID 71925921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).