1-amino-3-(4-methoxybutan-2-yl)thiourea

C6H15N3OS — CID 64603866

IUPAC1-amino-3-(4-methoxybutan-2-yl)thiourea
SMILESCOCCC(C)NC(=S)NN
InChIInChI=1S/C6H15N3OS/c1-5(3-4-10-2)8-6(11)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,11)
InChIKeyBGAIDYAIOQPJMZ-UHFFFAOYSA-N
MW177.27 g/mol
LogP-0.25
Rot. Bonds4

About 1-amino-3-(4-methoxybutan-2-yl)thiourea

1-amino-3-(4-methoxybutan-2-yl)thiourea (PubChem CID 64603866) has the molecular formula C6H15N3OS and a molecular weight of 177.27 g/mol. Its IUPAC name is 1-amino-3-(4-methoxybutan-2-yl)thiourea.

Molecular Properties

Compound Name1-amino-3-(4-methoxybutan-2-yl)thiourea
PubChem CID64603866
Molecular FormulaC6H15N3OS
Molecular Weight177.27 g/mol
Exact Mass177.09
IUPAC Name1-amino-3-(4-methoxybutan-2-yl)thiourea
SMILESCOCCC(C)NC(=S)NN
InChIInChI=1S/C6H15N3OS/c1-5(3-4-10-2)8-6(11)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,11)
InChIKeyBGAIDYAIOQPJMZ-UHFFFAOYSA-N
XLogP-0.25
TPSA59.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.27
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-amino-3-(5-methylhexan-2-yl)thiourea
CID 63925911
1-amino-3-octan-2-ylthiourea
CID 61480356
1-amino-2-butyl-3-(4-methoxybutan-2-yl)guanidine
CID 104887008
2-methoxy-N-(4-methoxybutan-2-yl)acetamide
CID 62612246
3-(4-methoxybutan-2-ylamino)-3-oxopropanoic acid
CID 64604730
N-(4-methoxybutan-2-yl)-2-methylpropanamide
CID 62613401
N-(2-aminoethyl)-N'-(4-methoxybutan-2-yl)oxamide
CID 64601059
N-(4-methoxybutan-2-yl)-2-(propan-2-ylamino)acetamide
CID 64605255
1-(2,3-dimethylbutyl)-3-(1-methoxypropan-2-yl)thiourea
CID 115642333
1-(1-methoxypropan-2-yl)-3-(4-methylsulfanylbutan-2-yl)thiourea
CID 115635665
3-(4-methoxybutan-2-ylamino)-2,3-dimethylbutan-2-ol
CID 106185432
3-(4-methoxybutan-2-yl)-1,1-dimethylurea
CID 115603454

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4-methoxybutan-2-yl)thiourea?
The IUPAC name of 1-amino-3-(4-methoxybutan-2-yl)thiourea (CID 64603866) is 1-amino-3-(4-methoxybutan-2-yl)thiourea.
What is the SMILES notation for 1-amino-3-(4-methoxybutan-2-yl)thiourea?
The canonical SMILES for 1-amino-3-(4-methoxybutan-2-yl)thiourea is COCCC(C)NC(=S)NN.
What is the InChIKey of 1-amino-3-(4-methoxybutan-2-yl)thiourea?
The InChIKey is BGAIDYAIOQPJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N3OS/c1-5(3-4-10-2)8-6(11)9-7/h5H,3-4,7H2,1-2H3,(H2,8,9,11).
What are the key properties of 1-amino-3-(4-methoxybutan-2-yl)thiourea?
1-amino-3-(4-methoxybutan-2-yl)thiourea has a molecular weight of 177.27 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4-methoxybutan-2-yl)thiourea is sourced from PubChem (CID 64603866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).