N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide

C6H11N3S — CID 143258397

IUPACN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide
SMILESC/N=C(N)/C=C\N(C)C=S
InChIInChI=1S/C6H11N3S/c1-8-6(7)3-4-9(2)5-10/h3-5H,1-2H3,(H2,7,8)/b4-3-
InChIKeyLOOPTIMCBXHKRR-ARJAWSKDSA-N
MW157.24 g/mol
LogP0.38
Rot. Bonds3

About N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide

N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide (PubChem CID 143258397) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide.

Molecular Properties

Compound NameN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide
PubChem CID143258397
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC NameN-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide
SMILESC/N=C(N)/C=C\N(C)C=S
InChIInChI=1S/C6H11N3S/c1-8-6(7)3-4-9(2)5-10/h3-5H,1-2H3,(H2,7,8)/b4-3-
InChIKeyLOOPTIMCBXHKRR-ARJAWSKDSA-N
XLogP0.38
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

Pyrimidine, 4-dimethylamino-1,2-dihydro-1-methyl-2-thio-
CID 171384593
2(1H)-Pyrimidinethione, 4-amino-1-methyl-
CID 10419272
7-Amino-1-methylimidazo[1,2-c]pyrimidine-5-thione
CID 10375032
2(1H)-Pyrimidinethione, 4,6-diamino-1-methyl-
CID 11008167
4,6-diamino-1-ethyl-2-(1H)-pyrimidinethione
CID 15200360
4-Amino-1-ethylpyrimidine-2-thione
CID 21809678
(Z)-3-[ethyl(methyl)amino]-N'-methylprop-2-enimidamide
CID 123455148
4-Amino-1-iodopyrimidine-2-thione
CID 135174137
4-amino-1-methyl-2H-pyrimidine-2-thiol
CID 137410633
4-Amino-1-propan-2-ylpyrimidine-2-thione
CID 139542970
4-Amino-1-methylpyrimidine-2-thione;ethane
CID 143278147
N-[(Z)-1,3-diaminoprop-2-enylidene]ethanethioamide
CID 163644583

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide?
The IUPAC name of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide (CID 143258397) is N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide.
What is the SMILES notation for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide?
The canonical SMILES for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide is C/N=C(N)/C=C\N(C)C=S.
What is the InChIKey of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide?
The InChIKey is LOOPTIMCBXHKRR-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H11N3S/c1-8-6(7)3-4-9(2)5-10/h3-5H,1-2H3,(H2,7,8)/b4-3-.
What are the key properties of N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide?
N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide has a molecular weight of 157.24 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-3-amino-3-methyliminoprop-1-enyl]-N-methylmethanethioamide is sourced from PubChem (CID 143258397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).