N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide

C17H18N4O3S — CID 91760299

IUPACN-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1n[nH]c2ccccc12
InChIInChI=1S/C17H18N4O3S/c22-17(16-12-3-1-2-4-13(12)20-21-16)19-14-8-23-6-5-15(14)24-7-11-9-25-10-18-11/h1-4,9-10,14-15H,5-8H2,(H,19,22)(H,20,21)/t14-,15+/m1/s1
InChIKeyHRYDOXARVPFQRA-CABCVRRESA-N
MW358.42 g/mol
LogP2.12
Rot. Bonds5

About N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide

N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide (PubChem CID 91760299) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide
PubChem CID91760299
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1n[nH]c2ccccc12
InChIInChI=1S/C17H18N4O3S/c22-17(16-12-3-1-2-4-13(12)20-21-16)19-14-8-23-6-5-15(14)24-7-11-9-25-10-18-11/h1-4,9-10,14-15H,5-8H2,(H,19,22)(H,20,21)/t14-,15+/m1/s1
InChIKeyHRYDOXARVPFQRA-CABCVRRESA-N
XLogP2.12
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide (CID 91760299) is N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide is O=C(N[C@@H]1COCC[C@@H]1OCc1cscn1)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide?
The InChIKey is HRYDOXARVPFQRA-CABCVRRESA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-17(16-12-3-1-2-4-13(12)20-21-16)19-14-8-23-6-5-15(14)24-7-11-9-25-10-18-11/h1-4,9-10,14-15H,5-8H2,(H,19,22)(H,20,21)/t14-,15+/m1/s1.
What are the key properties of N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide?
N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-4-(1,3-thiazol-4-ylmethoxy)oxan-3-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 91760299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).