(6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

C16H21N5OS — CID 164636387

IUPAC(6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C16H21N5OS/c22-15(11-1-2-12-8-19-21-13(12)7-11)20-16-18-9-14(23-16)10-3-5-17-6-4-10/h8-11,17H,1-7H2,(H,19,21)(H,18,20,22)/t11-/m0/s1
InChIKeyLUMNDWYXPLCBGN-NSHDSACASA-N
MW331.45 g/mol
LogP2.08
Rot. Bonds3

About (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide

(6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (PubChem CID 164636387) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name(6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
PubChem CID164636387
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC Name(6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)[C@H]1CCc2cn[nH]c2C1
InChIInChI=1S/C16H21N5OS/c22-15(11-1-2-12-8-19-21-13(12)7-11)20-16-18-9-14(23-16)10-3-5-17-6-4-10/h8-11,17H,1-7H2,(H,19,21)(H,18,20,22)/t11-/m0/s1
InChIKeyLUMNDWYXPLCBGN-NSHDSACASA-N
XLogP2.08
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The IUPAC name of (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide (CID 164636387) is (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide.
What is the SMILES notation for (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The canonical SMILES for (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is O=C(Nc1ncc(C2CCNCC2)s1)[C@H]1CCc2cn[nH]c2C1.
What is the InChIKey of (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
The InChIKey is LUMNDWYXPLCBGN-NSHDSACASA-N. The full InChI is InChI=1S/C16H21N5OS/c22-15(11-1-2-12-8-19-21-13(12)7-11)20-16-18-9-14(23-16)10-3-5-17-6-4-10/h8-11,17H,1-7H2,(H,19,21)(H,18,20,22)/t11-/m0/s1.
What are the key properties of (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide?
(6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide has a molecular weight of 331.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-4,5,6,7-tetrahydro-1H-indazole-6-carboxamide is sourced from PubChem (CID 164636387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).