1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea

C14H23N5OS — CID 51081438

IUPAC1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea
SMILESCN(C)C1(CNC(=O)Nc2nnc(C3CC3)s2)CCCC1
InChIInChI=1S/C14H23N5OS/c1-19(2)14(7-3-4-8-14)9-15-12(20)16-13-18-17-11(21-13)10-5-6-10/h10H,3-9H2,1-2H3,(H2,15,16,18,20)
InChIKeyDLBZBKAQJJVLER-UHFFFAOYSA-N
MW309.44 g/mol
LogP2.41
Rot. Bonds5

About 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea

1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea (PubChem CID 51081438) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea
PubChem CID51081438
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea
SMILESCN(C)C1(CNC(=O)Nc2nnc(C3CC3)s2)CCCC1
InChIInChI=1S/C14H23N5OS/c1-19(2)14(7-3-4-8-14)9-15-12(20)16-13-18-17-11(21-13)10-5-6-10/h10H,3-9H2,1-2H3,(H2,15,16,18,20)
InChIKeyDLBZBKAQJJVLER-UHFFFAOYSA-N
XLogP2.41
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea?
The IUPAC name of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea (CID 51081438) is 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea.
What is the SMILES notation for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea?
The canonical SMILES for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea is CN(C)C1(CNC(=O)Nc2nnc(C3CC3)s2)CCCC1.
What is the InChIKey of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea?
The InChIKey is DLBZBKAQJJVLER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-19(2)14(7-3-4-8-14)9-15-12(20)16-13-18-17-11(21-13)10-5-6-10/h10H,3-9H2,1-2H3,(H2,15,16,18,20).
What are the key properties of 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea?
1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea has a molecular weight of 309.44 g/mol, XLogP of 2.41, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[[1-(dimethylamino)cyclopentyl]methyl]urea is sourced from PubChem (CID 51081438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).