2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

C14H25N5OS — CID 119160596

IUPAC2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCc1nc(CN/C(=N/CC(=O)N(C)C)NC(C)C)sc1C
InChIInChI=1S/C14H25N5OS/c1-9(2)17-14(16-8-13(20)19(5)6)15-7-12-18-10(3)11(4)21-12/h9H,7-8H2,1-6H3,(H2,15,16,17)
InChIKeyMNSNTOCXKMVOQS-UHFFFAOYSA-N
MW311.46 g/mol
LogP1.29
Rot. Bonds5

About 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide

2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (PubChem CID 119160596) has the molecular formula C14H25N5OS and a molecular weight of 311.46 g/mol. Its IUPAC name is 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
PubChem CID119160596
Molecular FormulaC14H25N5OS
Molecular Weight311.46 g/mol
Exact Mass311.18
IUPAC Name2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide
SMILESCc1nc(CN/C(=N/CC(=O)N(C)C)NC(C)C)sc1C
InChIInChI=1S/C14H25N5OS/c1-9(2)17-14(16-8-13(20)19(5)6)15-7-12-18-10(3)11(4)21-12/h9H,7-8H2,1-6H3,(H2,15,16,17)
InChIKeyMNSNTOCXKMVOQS-UHFFFAOYSA-N
XLogP1.29
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.46
LogP ≤ 51.29
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
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(2-methylprop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111775772
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylpropylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047686
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(2-methylsulfanylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110047728
2-[[(cyclopentylamino)-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047675
N,N-dimethyl-2-[[(propan-2-ylamino)-(propylamino)methylidene]amino]acetamide;hydroiodide
CID 111541269
3-[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-2-methyl-3-oxopropanoic acid
CID 122065703
1-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111772900
N,N-dimethyl-2-[[(2-methylsulfanylethylamino)-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 111751159
N,N-dimethyl-2-[[(1-phenylethylamino)-[(4-propan-2-yl-1,3-thiazol-2-yl)methylamino]methylidene]amino]acetamide;hydroiodide
CID 110047819
N,N-dimethyl-2-[[[(3-methyl-1-benzofuran-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]acetamide;hydroiodide
CID 119160448
2-[[[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethylamino]-(3-morpholin-4-ylpropylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110047673

Frequently Asked Questions

What is the IUPAC name of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide (CID 119160596) is 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is Cc1nc(CN/C(=N/CC(=O)N(C)C)NC(C)C)sc1C.
What is the InChIKey of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
The InChIKey is MNSNTOCXKMVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5OS/c1-9(2)17-14(16-8-13(20)19(5)6)15-7-12-18-10(3)11(4)21-12/h9H,7-8H2,1-6H3,(H2,15,16,17).
What are the key properties of 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide?
2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide has a molecular weight of 311.46 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[(4,5-dimethyl-1,3-thiazol-2-yl)methylamino]-(propan-2-ylamino)methylidene]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 119160596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).