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

C14H23N5OS — CID 71925915

IUPACN-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-11-15-14(21-16-11)19-7-3-6-18(8-9-19)10-13(20)17(2)12-4-5-12/h12H,3-10H2,1-2H3
InChIKeyGVLAISWJBADDNF-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.98
Rot. Bonds4

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

N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide (PubChem CID 71925915) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
PubChem CID71925915
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC NameN-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide
SMILESCc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1
InChIInChI=1S/C14H23N5OS/c1-11-15-14(21-16-11)19-7-3-6-18(8-9-19)10-13(20)17(2)12-4-5-12/h12H,3-10H2,1-2H3
InChIKeyGVLAISWJBADDNF-UHFFFAOYSA-N
XLogP0.98
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide (CID 71925915) is N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide is Cc1nsc(N2CCCN(CC(=O)N(C)C3CC3)CC2)n1.
What is the InChIKey of N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is GVLAISWJBADDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-11-15-14(21-16-11)19-7-3-6-18(8-9-19)10-13(20)17(2)12-4-5-12/h12H,3-10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide?
N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 309.44 g/mol, XLogP of 0.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-methyl-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 71925915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).