1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine

C17H30N2OS — CID 105019959

IUPAC1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1nc(C)c(C)s1
InChIInChI=1S/C17H30N2OS/c1-4-10-18-15(8-9-16-7-5-6-11-20-16)12-17-19-13(2)14(3)21-17/h15-16,18H,4-12H2,1-3H3
InChIKeyVLSSHLQJRVCILX-UHFFFAOYSA-N
MW310.51 g/mol
LogP4.02
Rot. Bonds8

About 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine

1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine (PubChem CID 105019959) has the molecular formula C17H30N2OS and a molecular weight of 310.51 g/mol. Its IUPAC name is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
PubChem CID105019959
Molecular FormulaC17H30N2OS
Molecular Weight310.51 g/mol
Exact Mass310.21
IUPAC Name1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
SMILESCCCNC(CCC1CCCCO1)Cc1nc(C)c(C)s1
InChIInChI=1S/C17H30N2OS/c1-4-10-18-15(8-9-16-7-5-6-11-20-16)12-17-19-13(2)14(3)21-17/h15-16,18H,4-12H2,1-3H3
InChIKeyVLSSHLQJRVCILX-UHFFFAOYSA-N
XLogP4.02
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.51
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-3-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 105030163
1-methylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164508
1-(3-methylphenyl)-4-(oxan-2-yl)-N-propylbutan-2-amine
CID 63951958
1-ethylsulfanyl-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 65164220
4-(oxan-2-yl)-N-propyl-1-pyridin-3-ylbutan-2-amine
CID 105034731
1-(oxan-2-yl)-N-propylhex-5-en-3-amine
CID 115815083
1-(1-methylpyrazol-4-yl)-4-(oxolan-2-yl)-N-propylbutan-2-amine
CID 115821197
1-(oxolan-2-yl)-N-propyloctan-3-amine
CID 115837005
1-(oxan-2-yl)-N-propyl-5-thiophen-3-ylpentan-3-amine
CID 115857206
1-methoxy-5-(oxolan-2-yl)-N-propylpentan-3-amine
CID 65164444
6-methoxy-6-methyl-1-(oxan-2-yl)-N-propylheptan-3-amine
CID 103032094
6-methylsulfonyl-1-(oxan-2-yl)-N-propylhexan-3-amine
CID 115820960

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The IUPAC name of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine (CID 105019959) is 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The canonical SMILES for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine is CCCNC(CCC1CCCCO1)Cc1nc(C)c(C)s1.
What is the InChIKey of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
The InChIKey is VLSSHLQJRVCILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2OS/c1-4-10-18-15(8-9-16-7-5-6-11-20-16)12-17-19-13(2)14(3)21-17/h15-16,18H,4-12H2,1-3H3.
What are the key properties of 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine?
1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine has a molecular weight of 310.51 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethyl-1,3-thiazol-2-yl)-4-(oxan-2-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 105019959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).