4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide

C11H15N7O2S — CID 106412637

IUPAC4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)NCc1ncon1
InChIInChI=1S/C11H15N7O2S/c12-6-1-2-18(4-6)11-16-9(13)8(21-11)10(19)14-3-7-15-5-20-17-7/h5-6H,1-4,12-13H2,(H,14,19)
InChIKeyNDVOXNSIRZRASE-UHFFFAOYSA-N
MW309.36 g/mol
LogP-0.42
Rot. Bonds4

About 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 106412637) has the molecular formula C11H15N7O2S and a molecular weight of 309.36 g/mol. Its IUPAC name is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID106412637
Molecular FormulaC11H15N7O2S
Molecular Weight309.36 g/mol
Exact Mass309.10
IUPAC Name4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESNc1nc(N2CCC(N)C2)sc1C(=O)NCc1ncon1
InChIInChI=1S/C11H15N7O2S/c12-6-1-2-18(4-6)11-16-9(13)8(21-11)10(19)14-3-7-15-5-20-17-7/h5-6H,1-4,12-13H2,(H,14,19)
InChIKeyNDVOXNSIRZRASE-UHFFFAOYSA-N
XLogP-0.42
TPSA136.19 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 5-0.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,3-thiazol-5-ylmethyl)-1,3-thiazole-5-carboxamide
CID 116673785
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669705
4-amino-2-(3-aminopyrrolidin-1-yl)-N-prop-2-enyl-1,3-thiazole-5-carboxamide
CID 116674057
4-amino-2-(3-aminopyrrolidin-1-yl)-N-but-2-ynyl-1,3-thiazole-5-carboxamide
CID 116673068
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-propan-2-yloxyethyl)-1,3-thiazole-5-carboxamide
CID 116673365
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-ethoxypropyl)-1,3-thiazole-5-carboxamide
CID 116672973
4-amino-2-(3-aminopyrrolidin-1-yl)-N-hex-5-ynyl-1,3-thiazole-5-carboxamide
CID 106215809
4-amino-2-(3-aminopiperidin-1-yl)-N-(cyclobutylmethyl)-1,3-thiazole-5-carboxamide
CID 116669721
4-amino-2-(3-aminopyrrolidin-1-yl)-N-phenyl-1,3-thiazole-5-carboxamide
CID 116667439
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(2-hydroxy-3-methoxypropyl)-1,3-thiazole-5-carboxamide
CID 116666789
4-amino-N-(2-aminoethyl)-2-(4-aminopiperidin-1-yl)-1,3-thiazole-5-carboxamide
CID 116662899
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(3-methyl-1,2,4-thiadiazol-5-yl)-1,3-thiazole-5-carboxamide
CID 116673666

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide (CID 106412637) is 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide is Nc1nc(N2CCC(N)C2)sc1C(=O)NCc1ncon1.
What is the InChIKey of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is NDVOXNSIRZRASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N7O2S/c12-6-1-2-18(4-6)11-16-9(13)8(21-11)10(19)14-3-7-15-5-20-17-7/h5-6H,1-4,12-13H2,(H,14,19).
What are the key properties of 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide?
4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 309.36 g/mol, XLogP of -0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(3-aminopyrrolidin-1-yl)-N-(1,2,4-oxadiazol-3-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 106412637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).