N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide

C15H19N5O3S — CID 87134001

IUPACN-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)Nc2nccs2)cc1C(=O)NCCCN
InChIInChI=1S/C15H19N5O3S/c1-23-12-4-3-10(9-11(12)13(21)17-6-2-5-16)19-14(22)20-15-18-7-8-24-15/h3-4,7-9H,2,5-6,16H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyCRUZULWSPPAUNZ-UHFFFAOYSA-N
MW349.42 g/mol
LogP1.87
Rot. Bonds7

About N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide

N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide (PubChem CID 87134001) has the molecular formula C15H19N5O3S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
PubChem CID87134001
Molecular FormulaC15H19N5O3S
Molecular Weight349.42 g/mol
Exact Mass349.12
IUPAC NameN-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide
SMILESCOc1ccc(NC(=O)Nc2nccs2)cc1C(=O)NCCCN
InChIInChI=1S/C15H19N5O3S/c1-23-12-4-3-10(9-11(12)13(21)17-6-2-5-16)19-14(22)20-15-18-7-8-24-15/h3-4,7-9H,2,5-6,16H2,1H3,(H,17,21)(H2,18,19,20,22)
InChIKeyCRUZULWSPPAUNZ-UHFFFAOYSA-N
XLogP1.87
TPSA118.37 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.42
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide?
The IUPAC name of N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide (CID 87134001) is N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide.
What is the SMILES notation for N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide?
The canonical SMILES for N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide is COc1ccc(NC(=O)Nc2nccs2)cc1C(=O)NCCCN.
What is the InChIKey of N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide?
The InChIKey is CRUZULWSPPAUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3S/c1-23-12-4-3-10(9-11(12)13(21)17-6-2-5-16)19-14(22)20-15-18-7-8-24-15/h3-4,7-9H,2,5-6,16H2,1H3,(H,17,21)(H2,18,19,20,22).
What are the key properties of N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide?
N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide has a molecular weight of 349.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-2-methoxy-5-(1,3-thiazol-2-ylcarbamoylamino)benzamide is sourced from PubChem (CID 87134001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).