2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide

C16H17N5O2S — CID 167764814

IUPAC2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cncc3c2CCC3)cs1
InChIInChI=1S/C16H17N5O2S/c17-16-21-13(7-24-16)15(23)20-12-4-11(12)19-14(22)10-6-18-5-8-2-1-3-9(8)10/h5-7,11-12H,1-4H2,(H2,17,21)(H,19,22)(H,20,23)/t11-,12-/m1/s1
InChIKeyUTMFELAVGKCDIK-VXGBXAGGSA-N
MW343.41 g/mol
LogP0.91
Rot. Bonds4

About 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide

2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide (PubChem CID 167764814) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide
PubChem CID167764814
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide
SMILESNc1nc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cncc3c2CCC3)cs1
InChIInChI=1S/C16H17N5O2S/c17-16-21-13(7-24-16)15(23)20-12-4-11(12)19-14(22)10-6-18-5-8-2-1-3-9(8)10/h5-7,11-12H,1-4H2,(H2,17,21)(H,19,22)(H,20,23)/t11-,12-/m1/s1
InChIKeyUTMFELAVGKCDIK-VXGBXAGGSA-N
XLogP0.91
TPSA110.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide (CID 167764814) is 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide is Nc1nc(C(=O)N[C@@H]2C[C@H]2NC(=O)c2cncc3c2CCC3)cs1.
What is the InChIKey of 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UTMFELAVGKCDIK-VXGBXAGGSA-N. The full InChI is InChI=1S/C16H17N5O2S/c17-16-21-13(7-24-16)15(23)20-12-4-11(12)19-14(22)10-6-18-5-8-2-1-3-9(8)10/h5-7,11-12H,1-4H2,(H2,17,21)(H,19,22)(H,20,23)/t11-,12-/m1/s1.
What are the key properties of 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide?
2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 0.91, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1R,2R)-2-(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonylamino)cyclopropyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 167764814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).