5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide

C9H13N7O4S — CID 173281092

IUPAC5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide
SMILESNC(=O)N(CCCCC(=O)Nc1nccs1)N=N[N+](=O)[O-]
InChIInChI=1S/C9H13N7O4S/c10-8(18)15(13-14-16(19)20)5-2-1-3-7(17)12-9-11-4-6-21-9/h4,6H,1-3,5H2,(H2,10,18)(H,11,12,17)
InChIKeyHIFSHHHEIIVOHR-UHFFFAOYSA-N
MW315.31 g/mol
LogP1.19
Rot. Bonds8

About 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide

5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide (PubChem CID 173281092) has the molecular formula C9H13N7O4S and a molecular weight of 315.31 g/mol. Its IUPAC name is 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide.

Molecular Properties

Compound Name5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide
PubChem CID173281092
Molecular FormulaC9H13N7O4S
Molecular Weight315.31 g/mol
Exact Mass315.07
IUPAC Name5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide
SMILESNC(=O)N(CCCCC(=O)Nc1nccs1)N=N[N+](=O)[O-]
InChIInChI=1S/C9H13N7O4S/c10-8(18)15(13-14-16(19)20)5-2-1-3-7(17)12-9-11-4-6-21-9/h4,6H,1-3,5H2,(H2,10,18)(H,11,12,17)
InChIKeyHIFSHHHEIIVOHR-UHFFFAOYSA-N
XLogP1.19
TPSA156.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Related Compounds

N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
methanamine;N-(1,3-thiazol-2-yl)hexanamide
CID 143608752
4-amino-N-(1,3-thiazol-2-yl)butanamide;hydrochloride
CID 168719847
5-amino-4-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 82682761
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-pentyldecanamide
CID 42664145
disodium;2-phosphonato-N-(1,3-thiazol-2-yl)acetamide
CID 53319122
5-(1,3-benzothiazol-2-yl)-N-(1,3-thiazol-2-yl)pentanamide
CID 18192870
1,3-thiazol-2-ylurea;hydrochloride
CID 118455578
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
7-(1,3-dioxoisoindol-2-yl)-N-(1,3-thiazol-2-yl)heptanamide
CID 3148603
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
4-(4-bromophenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 2679212

Frequently Asked Questions

What is the IUPAC name of 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide?
The IUPAC name of 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide (CID 173281092) is 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide.
What is the SMILES notation for 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide?
The canonical SMILES for 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide is NC(=O)N(CCCCC(=O)Nc1nccs1)N=N[N+](=O)[O-].
What is the InChIKey of 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide?
The InChIKey is HIFSHHHEIIVOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N7O4S/c10-8(18)15(13-14-16(19)20)5-2-1-3-7(17)12-9-11-4-6-21-9/h4,6H,1-3,5H2,(H2,10,18)(H,11,12,17).
What are the key properties of 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide?
5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide has a molecular weight of 315.31 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[carbamoyl-(nitrodiazenyl)amino]-N-(1,3-thiazol-2-yl)pentanamide is sourced from PubChem (CID 173281092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).