4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine

C10H17N3O2S — CID 103380334

IUPAC4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(C)CC1CCCO1
InChIInChI=1S/C10H17N3O2S/c1-13(6-7-4-3-5-15-7)10-8(14-2)9(11)12-16-10/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyORTUWUMQZHIAKH-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.35
Rot. Bonds4

About 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine

4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103380334) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103380334
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCOc1c(N)nsc1N(C)CC1CCCO1
InChIInChI=1S/C10H17N3O2S/c1-13(6-7-4-3-5-15-7)10-8(14-2)9(11)12-16-10/h7H,3-6H2,1-2H3,(H2,11,12)
InChIKeyORTUWUMQZHIAKH-UHFFFAOYSA-N
XLogP1.35
TPSA60.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360754
3-amino-N,N-dimethyl-5-[methyl(oxolan-2-ylmethyl)amino]-1,2-thiazole-4-sulfonamide
CID 103361342
3-amino-5-[methyl(oxolan-2-ylmethyl)amino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380335
ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754
5-N,5-N-bis(cyclopropylmethyl)-4-methoxy-1,2-thiazole-3,5-diamine
CID 103382051
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
3-chloro-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 47357922
5-N-(2-ethoxyethyl)-4-methoxy-5-N-methyl-1,2-thiazole-3,5-diamine
CID 103383373
2-methoxy-4-N-methyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-diamine
CID 63672016
4-N,2,5-trimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80795760
6-ethoxy-2-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80795329

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103380334) is 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine is COc1c(N)nsc1N(C)CC1CCCO1.
What is the InChIKey of 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is ORTUWUMQZHIAKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-13(6-7-4-3-5-15-7)10-8(14-2)9(11)12-16-10/h7H,3-6H2,1-2H3,(H2,11,12).
What are the key properties of 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 243.33 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103380334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).