1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea

C5H10N6S — CID 116507980

IUPAC1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
SMILESCNC(=S)NC(C)c1nn[nH]n1
InChIInChI=1S/C5H10N6S/c1-3(7-5(12)6-2)4-8-10-11-9-4/h3H,1-2H3,(H2,6,7,12)(H,8,9,10,11)
InChIKeyIQOKCFRWIZASAA-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.65
Rot. Bonds2

About 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea

1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea (PubChem CID 116507980) has the molecular formula C5H10N6S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea.

Molecular Properties

Compound Name1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
PubChem CID116507980
Molecular FormulaC5H10N6S
Molecular Weight186.24 g/mol
Exact Mass186.07
IUPAC Name1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
SMILESCNC(=S)NC(C)c1nn[nH]n1
InChIInChI=1S/C5H10N6S/c1-3(7-5(12)6-2)4-8-10-11-9-4/h3H,1-2H3,(H2,6,7,12)(H,8,9,10,11)
InChIKeyIQOKCFRWIZASAA-UHFFFAOYSA-N
XLogP-0.65
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-1-(2H-tetrazol-5-yl)ethanamine
CID 50988513
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 66477311
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
1-amino-2-propyl-3-[1-(2H-tetrazol-5-yl)ethyl]guanidine
CID 104884896
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
CID 62700432
N-[1-(2H-tetrazol-5-yl)ethyl]dodecanamide
CID 65426546
N-[1-(2H-tetrazol-5-yl)ethyl]azepane-1-carboxamide
CID 79151677
N-[1-(2H-tetrazol-5-yl)ethyl]hexa-2,4-dienamide
CID 76923671
N-[1-(2H-tetrazol-5-yl)ethyl]piperidine-1-carboxamide
CID 79155725
3,3-dimethyl-2-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]butanoic acid
CID 116537012

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea?
The IUPAC name of 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea (CID 116507980) is 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea.
What is the SMILES notation for 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea?
The canonical SMILES for 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea is CNC(=S)NC(C)c1nn[nH]n1.
What is the InChIKey of 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea?
The InChIKey is IQOKCFRWIZASAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6S/c1-3(7-5(12)6-2)4-8-10-11-9-4/h3H,1-2H3,(H2,6,7,12)(H,8,9,10,11).
What are the key properties of 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea?
1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea has a molecular weight of 186.24 g/mol, XLogP of -0.65, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea is sourced from PubChem (CID 116507980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).