2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide

C13H15ClN4S — CID 62948030

IUPAC2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2csc(C)n2)cc1Cl
InChIInChI=1S/C13H15ClN4S/c1-8-17-9(7-19-8)6-18(2)10-3-4-11(13(15)16)12(14)5-10/h3-5,7H,6H2,1-2H3,(H3,15,16)
InChIKeyBWVRRLKNBFMRGE-UHFFFAOYSA-N
MW294.81 g/mol
LogP3.03
Rot. Bonds4

About 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide

2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide (PubChem CID 62948030) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
PubChem CID62948030
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2csc(C)n2)cc1Cl
InChIInChI=1S/C13H15ClN4S/c1-8-17-9(7-19-8)6-18(2)10-3-4-11(13(15)16)12(14)5-10/h3-5,7H,6H2,1-2H3,(H3,15,16)
InChIKeyBWVRRLKNBFMRGE-UHFFFAOYSA-N
XLogP3.03
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-hydroxy-2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide
CID 81277355
2-chloro-4-[2-hydroxyethyl(methyl)amino]benzenecarboximidamide
CID 62948368
2-chloro-4-[methyl(propyl)amino]benzenecarboximidamide
CID 62947859
1-[2-bromo-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]phenyl]ethanone
CID 114068655
2-chloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridin-4-amine
CID 103721834
2-chloro-4-[3-hydroxybutyl(methyl)amino]benzenecarboximidamide
CID 113499629
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine
CID 42609218
2-chloro-4-[methyl(2-pyrrolidin-1-ylethyl)amino]benzenecarboximidamide
CID 63207722
N,2,2-trimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propanimidamide
CID 63177175
4-[bis(2-methylpropyl)amino]-2-chlorobenzenecarboximidamide
CID 55152073
2-methyl-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzonitrile
CID 81282821
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
The IUPAC name of 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide (CID 62948030) is 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide.
What is the SMILES notation for 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
The canonical SMILES for 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2csc(C)n2)cc1Cl.
What is the InChIKey of 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
The InChIKey is BWVRRLKNBFMRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-8-17-9(7-19-8)6-18(2)10-3-4-11(13(15)16)12(14)5-10/h3-5,7H,6H2,1-2H3,(H3,15,16).
What are the key properties of 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide?
2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide has a molecular weight of 294.81 g/mol, XLogP of 3.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]benzenecarboximidamide is sourced from PubChem (CID 62948030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).