1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea

C10H17N5OS — CID 95284419

IUPAC1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESC[C@@H](CNC(=O)Nc1nncs1)N1CCCC1
InChIInChI=1S/C10H17N5OS/c1-8(15-4-2-3-5-15)6-11-9(16)13-10-14-12-7-17-10/h7-8H,2-6H2,1H3,(H2,11,13,14,16)/t8-/m0/s1
InChIKeyDCMRTFXTZNZUDW-QMMMGPOBSA-N
MW255.35 g/mol
LogP1.14
Rot. Bonds4

About 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea

1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea (PubChem CID 95284419) has the molecular formula C10H17N5OS and a molecular weight of 255.35 g/mol. Its IUPAC name is 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea
PubChem CID95284419
Molecular FormulaC10H17N5OS
Molecular Weight255.35 g/mol
Exact Mass255.12
IUPAC Name1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea
SMILESC[C@@H](CNC(=O)Nc1nncs1)N1CCCC1
InChIInChI=1S/C10H17N5OS/c1-8(15-4-2-3-5-15)6-11-9(16)13-10-14-12-7-17-10/h7-8H,2-6H2,1H3,(H2,11,13,14,16)/t8-/m0/s1
InChIKeyDCMRTFXTZNZUDW-QMMMGPOBSA-N
XLogP1.14
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.35
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The IUPAC name of 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea (CID 95284419) is 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea.
What is the SMILES notation for 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The canonical SMILES for 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea is C[C@@H](CNC(=O)Nc1nncs1)N1CCCC1.
What is the InChIKey of 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
The InChIKey is DCMRTFXTZNZUDW-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N5OS/c1-8(15-4-2-3-5-15)6-11-9(16)13-10-14-12-7-17-10/h7-8H,2-6H2,1H3,(H2,11,13,14,16)/t8-/m0/s1.
What are the key properties of 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea?
1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea has a molecular weight of 255.35 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-pyrrolidin-1-ylpropyl]-3-(1,3,4-thiadiazol-2-yl)urea is sourced from PubChem (CID 95284419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).