N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

C8H15N5S — CID 163702799

IUPACN-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC/N=C1/NCC(CNC2=NCCN2)S1
InChIInChI=1S/C8H15N5S/c1-9-8-13-5-6(14-8)4-12-7-10-2-3-11-7/h6H,2-5H2,1H3,(H,9,13)(H2,10,11,12)
InChIKeyKCMNNMCSNBEAQZ-UHFFFAOYSA-N
MW213.31 g/mol
LogP-0.77
Rot. Bonds2

About N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine

N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 163702799) has the molecular formula C8H15N5S and a molecular weight of 213.31 g/mol. Its IUPAC name is N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
PubChem CID163702799
Molecular FormulaC8H15N5S
Molecular Weight213.31 g/mol
Exact Mass213.10
IUPAC NameN-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine
SMILESC/N=C1/NCC(CNC2=NCCN2)S1
InChIInChI=1S/C8H15N5S/c1-9-8-13-5-6(14-8)4-12-7-10-2-3-11-7/h6H,2-5H2,1H3,(H,9,13)(H2,10,11,12)
InChIKeyKCMNNMCSNBEAQZ-UHFFFAOYSA-N
XLogP-0.77
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-Imidazolidin-1-yl-4,5-dihydro-1,3-thiazole
CID 57037250
N-[2-[2-[ethyl(methyl)amino]-4,5-dihydro-1H-imidazol-5-yl]ethyl]-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 129059236
5-[2-[4,5-dihydro-1H-imidazol-2-yl(methyl)amino]ethyl]-N-ethyl-N-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 129059337
4,5-dihydro-1,3-thiazol-2-ylcyanamide;N-methylimidazolidin-2-imine
CID 159446545
4-[2-(4,5-dihydro-1H-imidazol-2-ylamino)propyl]-N-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 166731233
N-(4,5-dihydro-1H-imidazol-2-yl)-N'-(4,5-dihydro-1,3-thiazol-2-yl)ethane-1,2-diamine
CID 53835397

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine (CID 163702799) is N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is C/N=C1/NCC(CNC2=NCCN2)S1.
What is the InChIKey of N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is KCMNNMCSNBEAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5S/c1-9-8-13-5-6(14-8)4-12-7-10-2-3-11-7/h6H,2-5H2,1H3,(H,9,13)(H2,10,11,12).
What are the key properties of N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine?
N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 213.31 g/mol, XLogP of -0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylimino-1,3-thiazolidin-5-yl)methyl]-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 163702799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).