1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine

C9H14N6S — CID 57193548

IUPAC1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCN(C)c1nccs1
InChIInChI=1S/C9H14N6S/c1-11-8(14-7-10)12-3-5-15(2)9-13-4-6-16-9/h4,6H,3,5H2,1-2H3,(H2,11,12,14)
InChIKeyCZMMCJQXZUJCBZ-UHFFFAOYSA-N
MW238.32 g/mol
LogP0.23
Rot. Bonds4

About 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine

1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine (PubChem CID 57193548) has the molecular formula C9H14N6S and a molecular weight of 238.32 g/mol. Its IUPAC name is 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine
PubChem CID57193548
Molecular FormulaC9H14N6S
Molecular Weight238.32 g/mol
Exact Mass238.10
IUPAC Name1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine
SMILESC/N=C(\NC#N)NCCN(C)c1nccs1
InChIInChI=1S/C9H14N6S/c1-11-8(14-7-10)12-3-5-15(2)9-13-4-6-16-9/h4,6H,3,5H2,1-2H3,(H2,11,12,14)
InChIKeyCZMMCJQXZUJCBZ-UHFFFAOYSA-N
XLogP0.23
TPSA76.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N,N-diethylethanamine;1,3-thiazol-2-ylcarbamodithioic acid
CID 12657202
N-methyl-1,3-thiazol-2-amine
CID 11959081
Urea, 1-methyl-3-(2-thiazolyl)-2-thio-
CID 3037328
1-(Thiazol-2-yl)piperazine
CID 911806
1-[2-(1-Piperidyl)ethyl]-3-thiazol-2-yl-thiourea
CID 3003035
2-(Dimethylamino)-N-2-thiazolylacetamide
CID 12562481
N-propyl-1,3-thiazol-2-amine
CID 12707503
N-Ethyl-1,3-thiazol-2-amine
CID 13699275
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/2)
CID 21925413
1-(1,3-Thiazol-2-yl)piperazine--hydrogen chloride (1/1)
CID 23467106
N-cyclopropyl-1,3-thiazol-2-amine
CID 28517512
N,N'-Di-2-thiazolylethylenediamine
CID 100047

Frequently Asked Questions

What is the IUPAC name of 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine (CID 57193548) is 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine is C/N=C(\NC#N)NCCN(C)c1nccs1.
What is the InChIKey of 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine?
The InChIKey is CZMMCJQXZUJCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N6S/c1-11-8(14-7-10)12-3-5-15(2)9-13-4-6-16-9/h4,6H,3,5H2,1-2H3,(H2,11,12,14).
What are the key properties of 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine?
1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine has a molecular weight of 238.32 g/mol, XLogP of 0.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-2-methyl-3-[2-[methyl(1,3-thiazol-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 57193548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).