2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

C15H27N5OS — CID 111839093

IUPAC2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H27N5OS/c1-7-16-14(18-9-13(21)20(5)6)17-8-12-19-11(10-22-12)15(2,3)4/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyNAJXVNHEBQWWJC-UHFFFAOYSA-N
MW325.48 g/mol
LogP1.58
Rot. Bonds5

About 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 111839093) has the molecular formula C15H27N5OS and a molecular weight of 325.48 g/mol. Its IUPAC name is 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID111839093
Molecular FormulaC15H27N5OS
Molecular Weight325.48 g/mol
Exact Mass325.19
IUPAC Name2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCCN/C(=N\CC(=O)N(C)C)NCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C15H27N5OS/c1-7-16-14(18-9-13(21)20(5)6)17-8-12-19-11(10-22-12)15(2,3)4/h10H,7-9H2,1-6H3,(H2,16,17,18)
InChIKeyNAJXVNHEBQWWJC-UHFFFAOYSA-N
XLogP1.58
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.48
LogP ≤ 51.58
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

2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111775778
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 111835703
2-[[ethylamino-[3-(4-methyl-1,3-thiazol-2-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111365377
2-[[ethylamino-[(5-ethyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 111517398
2-[[(cyclopropylamino)-[(4-methyl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 119116997
3-[[N-ethyl-N'-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]carbamimidoyl]amino]-N,N-dimethylpropanamide;hydroiodide
CID 111689365
2-[[(3-ethoxypropylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110047862
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-ethyl-2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]guanidine;hydroiodide
CID 111840428
N-tert-butyl-2-[[N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111839563
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-(2-ethyl-2-hydroxybutyl)urea
CID 111104399
2-[[(cyclopropylmethylamino)-(ethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111364983
2-[[ethylamino-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 111364696

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide (CID 111839093) is 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is CCN/C(=N\CC(=O)N(C)C)NCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is NAJXVNHEBQWWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5OS/c1-7-16-14(18-9-13(21)20(5)6)17-8-12-19-11(10-22-12)15(2,3)4/h10H,7-9H2,1-6H3,(H2,16,17,18).
What are the key properties of 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 325.48 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4-tert-butyl-1,3-thiazol-2-yl)methylamino]-(ethylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 111839093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).