N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

C16H23N5OS — CID 131905374

IUPACN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESNc1nc(CCCNC(=O)CCc2n[nH]c3c2CCCC3)cs1
InChIInChI=1S/C16H23N5OS/c17-16-19-11(10-23-16)4-3-9-18-15(22)8-7-14-12-5-1-2-6-13(12)20-21-14/h10H,1-9H2,(H2,17,19)(H,18,22)(H,20,21)
InChIKeyIQBRKGQZLMEFLO-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.01
Rot. Bonds7

About N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide

N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (PubChem CID 131905374) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
PubChem CID131905374
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC NameN-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
SMILESNc1nc(CCCNC(=O)CCc2n[nH]c3c2CCCC3)cs1
InChIInChI=1S/C16H23N5OS/c17-16-19-11(10-23-16)4-3-9-18-15(22)8-7-14-12-5-1-2-6-13(12)20-21-14/h10H,1-9H2,(H2,17,19)(H,18,22)(H,20,21)
InChIKeyIQBRKGQZLMEFLO-UHFFFAOYSA-N
XLogP2.01
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The IUPAC name of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide (CID 131905374) is N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide.
What is the SMILES notation for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The canonical SMILES for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is Nc1nc(CCCNC(=O)CCc2n[nH]c3c2CCCC3)cs1.
What is the InChIKey of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
The InChIKey is IQBRKGQZLMEFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c17-16-19-11(10-23-16)4-3-9-18-15(22)8-7-14-12-5-1-2-6-13(12)20-21-14/h10H,1-9H2,(H2,17,19)(H,18,22)(H,20,21).
What are the key properties of N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide?
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide has a molecular weight of 333.46 g/mol, XLogP of 2.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide is sourced from PubChem (CID 131905374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).