2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide

C18H31N5OS — CID 110049092

IUPAC2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NCC1CCCCC1)N(C)CCc1nccs1
InChIInChI=1S/C18H31N5OS/c1-22(2)17(24)14-21-18(20-13-15-7-5-4-6-8-15)23(3)11-9-16-19-10-12-25-16/h10,12,15H,4-9,11,13-14H2,1-3H3,(H,20,21)
InChIKeyCHVXWODAPIBOHH-UHFFFAOYSA-N
MW365.55 g/mol
LogP2.23
Rot. Bonds7

About 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide

2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide (PubChem CID 110049092) has the molecular formula C18H31N5OS and a molecular weight of 365.55 g/mol. Its IUPAC name is 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
PubChem CID110049092
Molecular FormulaC18H31N5OS
Molecular Weight365.55 g/mol
Exact Mass365.22
IUPAC Name2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)C/N=C(/NCC1CCCCC1)N(C)CCc1nccs1
InChIInChI=1S/C18H31N5OS/c1-22(2)17(24)14-21-18(20-13-15-7-5-4-6-8-15)23(3)11-9-16-19-10-12-25-16/h10,12,15H,4-9,11,13-14H2,1-3H3,(H,20,21)
InChIKeyCHVXWODAPIBOHH-UHFFFAOYSA-N
XLogP2.23
TPSA60.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.55
LogP ≤ 52.23
H-Bond Donors ≤ 51
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

2-[[(cyclohexylmethylamino)-[methyl(oxan-4-ylmethyl)amino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110049497
2-[[(cyclohexylmethylamino)-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111860532
N,N-dimethyl-2-[[[methyl-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]amino]-(2-methylprop-2-enylamino)methylidene]amino]acetamide
CID 110049164
2-[[(cyclohexylmethylamino)-pyrrolidin-1-ylmethylidene]amino]-N,N-dimethylacetamide
CID 111493030
N,N-dimethyl-2-[[N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-N'-[[3-(trifluoromethyl)phenyl]methyl]carbamimidoyl]amino]acetamide
CID 110049064
3-ethyl-1-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]urea
CID 75387967
N,N-dimethyl-2-[[[methyl(2-phenoxyethyl)amino]-(oxan-2-ylmethylamino)methylidene]amino]acetamide
CID 110037589
2-[[(cyclohexylmethylamino)-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]methylidene]amino]-N,N-dimethylacetamide
CID 110039155
2-[[[2-(6-chloro-3-pyridinyl)ethylamino]-(cyclohexylmethylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110036418
2-[[(cyclohexylmethylamino)-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110035066
N,N-dimethyl-2-[[[methyl-[2-(1,3-thiazol-2-yl)propyl]amino]-(2-phenylethylamino)methylidene]amino]acetamide;hydroiodide
CID 110050141
2-[[(cyclohexylmethylamino)-(2-methoxyethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111491784

Frequently Asked Questions

What is the IUPAC name of 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide (CID 110049092) is 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide is CN(C)C(=O)C/N=C(/NCC1CCCCC1)N(C)CCc1nccs1.
What is the InChIKey of 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is CHVXWODAPIBOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5OS/c1-22(2)17(24)14-21-18(20-13-15-7-5-4-6-8-15)23(3)11-9-16-19-10-12-25-16/h10,12,15H,4-9,11,13-14H2,1-3H3,(H,20,21).
What are the key properties of 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide?
2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 365.55 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(cyclohexylmethylamino)-[methyl-[2-(1,3-thiazol-2-yl)ethyl]amino]methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 110049092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).