(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine

C9H18N2O2S — CID 71422804

IUPAC(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)NC1=N[C@@H](OC)[C@H](OC)S1
InChIInChI=1S/C9H18N2O2S/c1-5-6(2)10-9-11-7(12-3)8(13-4)14-9/h6-8H,5H2,1-4H3,(H,10,11)/t6?,7-,8+/m0/s1
InChIKeyJFWCFEGKIKDSIT-ZHFSPANRSA-N
MW218.32 g/mol
LogP1.42
Rot. Bonds4

About (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine

(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 71422804) has the molecular formula C9H18N2O2S and a molecular weight of 218.32 g/mol. Its IUPAC name is (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID71422804
Molecular FormulaC9H18N2O2S
Molecular Weight218.32 g/mol
Exact Mass218.11
IUPAC Name(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC(C)NC1=N[C@@H](OC)[C@H](OC)S1
InChIInChI=1S/C9H18N2O2S/c1-5-6(2)10-9-11-7(12-3)8(13-4)14-9/h6-8H,5H2,1-4H3,(H,10,11)/t6?,7-,8+/m0/s1
InChIKeyJFWCFEGKIKDSIT-ZHFSPANRSA-N
XLogP1.42
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.32
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methoxypropan-2-yl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 43148945
N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43148946
N-(1-methoxypropan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439704
N-(1-methoxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43439705
4-ethyl-N-(1-methoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 43439708
N-(3-methoxypropyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440109
N-(2-ethoxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43591371
N-(1,4-dioxan-2-ylmethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61023164
N-(1-ethoxypropan-2-yl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61849649
N-(1-ethoxypropan-2-yl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61849863
N-(1-ethoxypropan-2-yl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61849866
N-(1-ethoxypropan-2-yl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 61850075

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine (CID 71422804) is (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine is CCC(C)NC1=N[C@@H](OC)[C@H](OC)S1.
What is the InChIKey of (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JFWCFEGKIKDSIT-ZHFSPANRSA-N. The full InChI is InChI=1S/C9H18N2O2S/c1-5-6(2)10-9-11-7(12-3)8(13-4)14-9/h6-8H,5H2,1-4H3,(H,10,11)/t6?,7-,8+/m0/s1.
What are the key properties of (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine?
(4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 218.32 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-N-butan-2-yl-4,5-dimethoxy-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 71422804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).