5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine

C11H19N3OS — CID 103360754

IUPAC5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC1CCCCO1
InChIInChI=1S/C11H19N3OS/c1-8-10(12)13-16-11(8)14(2)7-9-5-3-4-6-15-9/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyNYDWSNLZTHFNFU-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.04
Rot. Bonds3

About 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine

5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine (PubChem CID 103360754) has the molecular formula C11H19N3OS and a molecular weight of 241.36 g/mol. Its IUPAC name is 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
PubChem CID103360754
Molecular FormulaC11H19N3OS
Molecular Weight241.36 g/mol
Exact Mass241.12
IUPAC Name5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine
SMILESCc1c(N)nsc1N(C)CC1CCCCO1
InChIInChI=1S/C11H19N3OS/c1-8-10(12)13-16-11(8)14(2)7-9-5-3-4-6-15-9/h9H,3-7H2,1-2H3,(H2,12,13)
InChIKeyNYDWSNLZTHFNFU-UHFFFAOYSA-N
XLogP2.04
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 3-amino-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxylate
CID 103379749
4-methoxy-5-N-methyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103380334
3-amino-N-methyl-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carboxamide
CID 103379754
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
3-chloro-5-[methyl(oxan-2-ylmethyl)amino]-1,2-thiazole-4-carbonitrile
CID 47357922
4-N,2,5-trimethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80795760
5-N-ethyl-4-ethylsulfonyl-5-N-(oxolan-2-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103360778
3-N,4-dimethyl-3-N-(oxan-2-ylmethyl)benzene-1,3-diamine
CID 55091165
3,5-dimethyl-2-[[methyl(oxan-2-ylmethyl)amino]methyl]pyridin-4-amine
CID 103182165
2-N-methyl-2-N-(oxan-2-ylmethyl)benzene-1,2-diamine
CID 61431770
5-amino-2-[methyl(oxan-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 61431773

Frequently Asked Questions

What is the IUPAC name of 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine (CID 103360754) is 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine is Cc1c(N)nsc1N(C)CC1CCCCO1.
What is the InChIKey of 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
The InChIKey is NYDWSNLZTHFNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3OS/c1-8-10(12)13-16-11(8)14(2)7-9-5-3-4-6-15-9/h9H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine?
5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine has a molecular weight of 241.36 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,4-dimethyl-5-N-(oxan-2-ylmethyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103360754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).