5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine

C13H24N4OS — CID 103365012

IUPAC5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H24N4OS/c1-4-18-10-11(14)16-19-12(10)15-9-13(17(2)3)7-5-6-8-13/h15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyQQFYBTPHQHQWTA-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.41
Rot. Bonds6

About 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine

5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine (PubChem CID 103365012) has the molecular formula C13H24N4OS and a molecular weight of 284.43 g/mol. Its IUPAC name is 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
PubChem CID103365012
Molecular FormulaC13H24N4OS
Molecular Weight284.43 g/mol
Exact Mass284.17
IUPAC Name5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine
SMILESCCOc1c(N)nsc1NCC1(N(C)C)CCCC1
InChIInChI=1S/C13H24N4OS/c1-4-18-10-11(14)16-19-12(10)15-9-13(17(2)3)7-5-6-8-13/h15H,4-9H2,1-3H3,(H2,14,16)
InChIKeyQQFYBTPHQHQWTA-UHFFFAOYSA-N
XLogP2.41
TPSA63.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-ethoxy-5-N-[(2-methylthiolan-2-yl)methyl]-1,2-thiazole-3,5-diamine
CID 103364736
4-ethoxy-5-N-(2-ethylbutyl)-1,2-thiazole-3,5-diamine
CID 103365604
4-ethoxy-5-N-(2-methoxy-2-methylpropyl)-1,2-thiazole-3,5-diamine
CID 103365436
2-N-[[1-(dimethylamino)cyclopentyl]methyl]-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 83117873
4-ethoxy-5-N-(2-thiomorpholin-4-ylethyl)-1,2-thiazole-3,5-diamine
CID 106327712
1-[5-[[1-(dimethylamino)cyclopentyl]methylamino]-3-methyl-1,2-thiazol-4-yl]ethanone
CID 83115553
5-[(3-amino-4-ethoxy-1,2-thiazol-5-yl)amino]pentanamide
CID 114162925
5-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,2-thiazole-3,5-diamine
CID 103365933
4-ethoxy-5-N-(1H-imidazol-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103359710
4-ethoxy-5-N-(1H-1,2,4-triazol-5-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103364283
4-ethoxy-5-N-(4-propan-2-yloxybutyl)-1,2-thiazole-3,5-diamine
CID 114137469
4-ethoxy-5-N-[[2-(ethoxymethyl)phenyl]methyl]-1,2-thiazole-3,5-diamine
CID 103364258

Frequently Asked Questions

What is the IUPAC name of 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine (CID 103365012) is 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine is CCOc1c(N)nsc1NCC1(N(C)C)CCCC1.
What is the InChIKey of 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine?
The InChIKey is QQFYBTPHQHQWTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4OS/c1-4-18-10-11(14)16-19-12(10)15-9-13(17(2)3)7-5-6-8-13/h15H,4-9H2,1-3H3,(H2,14,16).
What are the key properties of 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine?
5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine has a molecular weight of 284.43 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[[1-(dimethylamino)cyclopentyl]methyl]-4-ethoxy-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103365012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).