3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide

C14H16N6OS — CID 58988186

IUPAC3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2nc3c(s2)-c2ncncc2CC3)C1
InChIInChI=1S/C14H16N6OS/c15-9-3-4-20(6-9)14(21)19-13-18-10-2-1-8-5-16-7-17-11(8)12(10)22-13/h5,7,9H,1-4,6,15H2,(H,18,19,21)
InChIKeyOKDKXSAWOQKAIG-UHFFFAOYSA-N
MW316.39 g/mol
LogP1.26
Rot. Bonds1

About 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide

3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide (PubChem CID 58988186) has the molecular formula C14H16N6OS and a molecular weight of 316.39 g/mol. Its IUPAC name is 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide
PubChem CID58988186
Molecular FormulaC14H16N6OS
Molecular Weight316.39 g/mol
Exact Mass316.11
IUPAC Name3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide
SMILESNC1CCN(C(=O)Nc2nc3c(s2)-c2ncncc2CC3)C1
InChIInChI=1S/C14H16N6OS/c15-9-3-4-20(6-9)14(21)19-13-18-10-2-1-8-5-16-7-17-11(8)12(10)22-13/h5,7,9H,1-4,6,15H2,(H,18,19,21)
InChIKeyOKDKXSAWOQKAIG-UHFFFAOYSA-N
XLogP1.26
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide (CID 58988186) is 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide is NC1CCN(C(=O)Nc2nc3c(s2)-c2ncncc2CC3)C1.
What is the InChIKey of 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is OKDKXSAWOQKAIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6OS/c15-9-3-4-20(6-9)14(21)19-13-18-10-2-1-8-5-16-7-17-11(8)12(10)22-13/h5,7,9H,1-4,6,15H2,(H,18,19,21).
What are the key properties of 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide?
3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 1.26, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(4,5-dihydro-[1,3]thiazolo[4,5-h]quinazolin-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 58988186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).