1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea

C14H25N5OS — CID 154739295

IUPAC1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCCc1nsc(NC(=O)NC(C)CN2CCCCC2)n1
InChIInChI=1S/C14H25N5OS/c1-3-7-12-16-14(21-18-12)17-13(20)15-11(2)10-19-8-5-4-6-9-19/h11H,3-10H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyKLLXEXDLXRXZHO-UHFFFAOYSA-N
MW311.46 g/mol
LogP2.49
Rot. Bonds6

About 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea

1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea (PubChem CID 154739295) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea.

Molecular Properties

Compound Name1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea
PubChem CID154739295
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea
SMILESCCCc1nsc(NC(=O)NC(C)CN2CCCCC2)n1
InChIInChI=1S/C14H25N5OS/c1-3-7-12-16-14(21-18-12)17-13(20)15-11(2)10-19-8-5-4-6-9-19/h11H,3-10H2,1-2H3,(H2,15,16,17,18,20)
InChIKeyKLLXEXDLXRXZHO-UHFFFAOYSA-N
XLogP2.49
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-phenyl-1,2,4-thiadiazol-5-yl)-3-[(2S)-1-piperidin-1-ylpropan-2-yl]urea
CID 99783227
1-(1-piperidin-1-ylpropan-2-yl)-3-[4-(trifluoromethyl)-1,3-thiazol-2-yl]urea
CID 78874909
3-ethyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65276551
2-[(3-propyl-1,2,4-thiadiazol-5-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113408668
1-ethyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590502
1-(5-phenyl-1,3-thiazol-2-yl)-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 78874563
1-propyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590520
1-butyl-3-(1-pyrrolidin-1-ylpropan-2-yl)urea
CID 115590501
(2S)-2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)pentanoic acid
CID 107566498
2-(2-aminoethyl)-N-(1-piperidin-1-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66388857
1-cyclopropyl-3-(1-piperidin-1-ylpropan-2-yl)urea
CID 115579826
2-(1-piperidin-1-ylpropan-2-ylcarbamoylamino)acetic acid
CID 61499964

Frequently Asked Questions

What is the IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea?
The IUPAC name of 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea (CID 154739295) is 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea.
What is the SMILES notation for 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea?
The canonical SMILES for 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea is CCCc1nsc(NC(=O)NC(C)CN2CCCCC2)n1.
What is the InChIKey of 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea?
The InChIKey is KLLXEXDLXRXZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-3-7-12-16-14(21-18-12)17-13(20)15-11(2)10-19-8-5-4-6-9-19/h11H,3-10H2,1-2H3,(H2,15,16,17,18,20).
What are the key properties of 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea?
1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea has a molecular weight of 311.46 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-piperidin-1-ylpropan-2-yl)-3-(3-propyl-1,2,4-thiadiazol-5-yl)urea is sourced from PubChem (CID 154739295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).