CID 58207377

C21H21N4OS — CID 58207377

IUPAC—
SMILESCc1sc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1[NH]
InChIInChI=1S/C21H21N4OS/c1-14-18(19(26)17-10-5-11-23-20(17)22)24-21(27-14)25-12-6-9-16(13-25)15-7-3-2-4-8-15/h2-5,7-8,10-11,16,22H,6,9,12-13H2,1H3
InChIKeyKOZWGHLMOOILIN-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.38
Rot. Bonds4

About CID 58207377

CID 58207377 (PubChem CID 58207377) has the molecular formula C21H21N4OS and a molecular weight of 377.49 g/mol.

Molecular Properties

Compound NameCID 58207377
PubChem CID58207377
Molecular FormulaC21H21N4OS
Molecular Weight377.49 g/mol
Exact Mass377.14
IUPAC Name—
SMILESCc1sc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1[NH]
InChIInChI=1S/C21H21N4OS/c1-14-18(19(26)17-10-5-11-23-20(17)22)24-21(27-14)25-12-6-9-16(13-25)15-7-3-2-4-8-15/h2-5,7-8,10-11,16,22H,6,9,12-13H2,1H3
InChIKeyKOZWGHLMOOILIN-UHFFFAOYSA-N
XLogP4.38
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of CID 58207377?
The IUPAC name of CID 58207377 (CID 58207377) is not available.
What is the SMILES notation for CID 58207377?
The canonical SMILES for CID 58207377 is Cc1sc(N2CCCC(c3ccccc3)C2)nc1C(=O)c1cccnc1[NH].
What is the InChIKey of CID 58207377?
The InChIKey is KOZWGHLMOOILIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N4OS/c1-14-18(19(26)17-10-5-11-23-20(17)22)24-21(27-14)25-12-6-9-16(13-25)15-7-3-2-4-8-15/h2-5,7-8,10-11,16,22H,6,9,12-13H2,1H3.
What are the key properties of CID 58207377?
CID 58207377 has a molecular weight of 377.49 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58207377 is sourced from PubChem (CID 58207377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).