ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine

C17H35N3OS — CID 144598201

IUPACethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine
SMILESCC.CCC(N)Cc1cscn1.CCC1(NC)CCOCC1
InChIInChI=1S/C8H17NO.C7H12N2S.C2H6/c1-3-8(9-2)4-6-10-7-5-8;1-2-6(8)3-7-4-10-5-9-7;1-2/h9H,3-7H2,1-2H3;4-6H,2-3,8H2,1H3;1-2H3
InChIKeyQJHJGCPMPOQCHO-UHFFFAOYSA-N
MW329.55 g/mol
LogP3.61
Rot. Bonds5

About ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine

ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine (PubChem CID 144598201) has the molecular formula C17H35N3OS and a molecular weight of 329.55 g/mol. Its IUPAC name is ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine.

Molecular Properties

Compound Nameethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine
PubChem CID144598201
Molecular FormulaC17H35N3OS
Molecular Weight329.55 g/mol
Exact Mass329.25
IUPAC Nameethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine
SMILESCC.CCC(N)Cc1cscn1.CCC1(NC)CCOCC1
InChIInChI=1S/C8H17NO.C7H12N2S.C2H6/c1-3-8(9-2)4-6-10-7-5-8;1-2-6(8)3-7-4-10-5-9-7;1-2/h9H,3-7H2,1-2H3;4-6H,2-3,8H2,1H3;1-2H3
InChIKeyQJHJGCPMPOQCHO-UHFFFAOYSA-N
XLogP3.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.55
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-3-methoxy-1-(1,3-thiazol-4-yl)pentan-2-amine
CID 135132830
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 55130252
N-[[3-(1,3-thiazol-4-ylmethyl)oxan-3-yl]methyl]propan-1-amine
CID 55150130
2-methyl-N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62717727
N-[[3-(1,3-thiazol-4-ylmethyl)oxolan-3-yl]methyl]propan-2-amine
CID 62719206
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62904856
2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-2-amine
CID 62905057
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]cyclopropanamine
CID 62905214
N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]ethanamine
CID 62905733
2-methyl-N-[[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methyl]propan-1-amine
CID 62906275
N-methyl-1-[4-(1,3-thiazol-4-ylmethyl)oxan-4-yl]methanamine
CID 62906432
[3-(1,3-Thiazol-4-ylmethyl)oxan-3-yl]methanamine
CID 63010290

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine?
The IUPAC name of ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine (CID 144598201) is ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine.
What is the SMILES notation for ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine?
The canonical SMILES for ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine is CC.CCC(N)Cc1cscn1.CCC1(NC)CCOCC1.
What is the InChIKey of ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine?
The InChIKey is QJHJGCPMPOQCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO.C7H12N2S.C2H6/c1-3-8(9-2)4-6-10-7-5-8;1-2-6(8)3-7-4-10-5-9-7;1-2/h9H,3-7H2,1-2H3;4-6H,2-3,8H2,1H3;1-2H3.
What are the key properties of ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine?
ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine has a molecular weight of 329.55 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-N-methyloxan-4-amine;1-(1,3-thiazol-4-yl)butan-2-amine is sourced from PubChem (CID 144598201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).