[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone

C14H23N5OS — CID 66202912

IUPAC[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H23N5OS/c1-14(2,3)12-11(21-17-16-12)13(20)19-6-4-18(5-7-19)10-8-15-9-10/h10,15H,4-9H2,1-3H3
InChIKeyBVJPMDSQSCOUNK-UHFFFAOYSA-N
MW309.44 g/mol
LogP0.57
Rot. Bonds2

About [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone

[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone (PubChem CID 66202912) has the molecular formula C14H23N5OS and a molecular weight of 309.44 g/mol. Its IUPAC name is [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
PubChem CID66202912
Molecular FormulaC14H23N5OS
Molecular Weight309.44 g/mol
Exact Mass309.16
IUPAC Name[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone
SMILESCC(C)(C)c1nnsc1C(=O)N1CCN(C2CNC2)CC1
InChIInChI=1S/C14H23N5OS/c1-14(2,3)12-11(21-17-16-12)13(20)19-6-4-18(5-7-19)10-8-15-9-10/h10,15H,4-9H2,1-3H3
InChIKeyBVJPMDSQSCOUNK-UHFFFAOYSA-N
XLogP0.57
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
The IUPAC name of [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone (CID 66202912) is [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone.
What is the SMILES notation for [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
The canonical SMILES for [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone is CC(C)(C)c1nnsc1C(=O)N1CCN(C2CNC2)CC1.
What is the InChIKey of [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
The InChIKey is BVJPMDSQSCOUNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5OS/c1-14(2,3)12-11(21-17-16-12)13(20)19-6-4-18(5-7-19)10-8-15-9-10/h10,15H,4-9H2,1-3H3.
What are the key properties of [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone?
[4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone has a molecular weight of 309.44 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(azetidin-3-yl)piperazin-1-yl]-(4-tert-butylthiadiazol-5-yl)methanone is sourced from PubChem (CID 66202912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).