carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide

C17H24CrN2S — CID 170582037

IUPACcarbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide
SMILESCc1ncsc1-c1ccc(C[NH-])cc1.[CH2-]CC([CH2-])C.[CH3-].[Cr+4]
InChIInChI=1S/C11H11N2S.C5H10.CH3.Cr/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;1-4-5(2)3;;/h2-5,7,12H,6H2,1H3;5H,1-2,4H2,3H3;1H3;/q-1;-2;-1;+4
InChIKeyFYVFDDVWKFWXLE-UHFFFAOYSA-N
MW340.46 g/mol
LogP5.80
Rot. Bonds3

About carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide

carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide (PubChem CID 170582037) has the molecular formula C17H24CrN2S and a molecular weight of 340.46 g/mol. Its IUPAC name is carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide.

Molecular Properties

Compound Namecarbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide
PubChem CID170582037
Molecular FormulaC17H24CrN2S
Molecular Weight340.46 g/mol
Exact Mass340.11
IUPAC Namecarbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide
SMILESCc1ncsc1-c1ccc(C[NH-])cc1.[CH2-]CC([CH2-])C.[CH3-].[Cr+4]
InChIInChI=1S/C11H11N2S.C5H10.CH3.Cr/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;1-4-5(2)3;;/h2-5,7,12H,6H2,1H3;5H,1-2,4H2,3H3;1H3;/q-1;-2;-1;+4
InChIKeyFYVFDDVWKFWXLE-UHFFFAOYSA-N
XLogP5.80
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.46
LogP ≤ 55.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methanamine;hydrochloride
CID 131801125
ethane;4-methyl-5-(4-methylphenyl)-1,3-thiazole
CID 156851577
N,N-dimethyl-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 155154777
N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]ethanamine
CID 153380249
4-methyl-5-(4-prop-2-ynylphenyl)-1,3-thiazole;molecular hydrogen
CID 178063099
(2S)-2-(methylamino)-3-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]propanal
CID 166916364
(1S)-N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine;hydrochloride
CID 156873324
5-[4-[(2S)-but-3-en-2-yl]phenyl]-4-methyl-1,3-thiazole
CID 156886524
methyl 2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]acetate
CID 168910064
2-[2-[2-[2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethoxy]ethoxy]ethoxy]ethanol
CID 167256669
formaldehyde;N-methyl-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethanamine
CID 163374182
(2R)-2-amino-2-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethane-1,1-diol
CID 178069167

Frequently Asked Questions

What is the IUPAC name of carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide?
The IUPAC name of carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide (CID 170582037) is carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide.
What is the SMILES notation for carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide?
The canonical SMILES for carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide is Cc1ncsc1-c1ccc(C[NH-])cc1.[CH2-]CC([CH2-])C.[CH3-].[Cr+4].
What is the InChIKey of carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide?
The InChIKey is FYVFDDVWKFWXLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N2S.C5H10.CH3.Cr/c1-8-11(14-7-13-8)10-4-2-9(6-12)3-5-10;1-4-5(2)3;;/h2-5,7,12H,6H2,1H3;5H,1-2,4H2,3H3;1H3;/q-1;-2;-1;+4.
What are the key properties of carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide?
carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide has a molecular weight of 340.46 g/mol, XLogP of 5.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;chromium(4+);2-methanidylbutane;[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methylazanide is sourced from PubChem (CID 170582037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).