1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea

C14H20N8OS — CID 8626187

IUPAC1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea
SMILESCN(C)CCNC(=S)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N8OS/c1-21(2)9-8-15-14(24)18-16-12(23)10-22-19-13(17-20-22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,23)(H2,15,18,24)
InChIKeyCCSKRIZPQGVTIY-UHFFFAOYSA-N
MW348.44 g/mol
LogP-0.60
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea

1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea (PubChem CID 8626187) has the molecular formula C14H20N8OS and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea
PubChem CID8626187
Molecular FormulaC14H20N8OS
Molecular Weight348.44 g/mol
Exact Mass348.15
IUPAC Name1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea
SMILESCN(C)CCNC(=S)NNC(=O)Cn1nnc(-c2ccccc2)n1
InChIInChI=1S/C14H20N8OS/c1-21(2)9-8-15-14(24)18-16-12(23)10-22-19-13(17-20-22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,23)(H2,15,18,24)
InChIKeyCCSKRIZPQGVTIY-UHFFFAOYSA-N
XLogP-0.60
TPSA100.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
2,2-diphenyl-N'-[2-(5-phenyltetrazol-2-yl)acetyl]acetohydrazide
CID 9468304
1-[[4-[(5-phenyltetrazol-2-yl)methyl]benzoyl]amino]-3-propylthiourea
CID 8626706
N-(3-aminobutyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 119498184
N',N'-dimethyl-N-[2-(5-phenyltetrazol-2-yl)ethyl]ethane-1,2-diamine
CID 62562414
3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]butanoic acid
CID 119221158
4-(methoxymethyl)-N'-[2-(5-phenyltetrazol-2-yl)acetyl]benzohydrazide
CID 8635386
N'-[2-(5-phenyltetrazol-2-yl)acetyl]naphthalene-2-carbohydrazide
CID 9468291
2-(5-phenyltetrazol-2-yl)acetic acid
CID 1086563
N-[(2-methylphenyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8684981
N-[2-oxo-2-[2-[2-(5-phenyltetrazol-2-yl)acetyl]hydrazinyl]ethyl]furan-2-carboxamide
CID 4846196
2-[5-[4-(dimethylamino)phenyl]tetrazol-2-yl]-N-phenylacetamide
CID 860998

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea (CID 8626187) is 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea is CN(C)CCNC(=S)NNC(=O)Cn1nnc(-c2ccccc2)n1.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea?
The InChIKey is CCSKRIZPQGVTIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N8OS/c1-21(2)9-8-15-14(24)18-16-12(23)10-22-19-13(17-20-22)11-6-4-3-5-7-11/h3-7H,8-10H2,1-2H3,(H,16,23)(H2,15,18,24).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea?
1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea has a molecular weight of 348.44 g/mol, XLogP of -0.60, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-[[2-(5-phenyltetrazol-2-yl)acetyl]amino]thiourea is sourced from PubChem (CID 8626187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).