N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H30N2OS — CID 114364301

IUPACN-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C(C)(CC)OCC)sc1CNC(C)C
InChIInChI=1S/C16H30N2OS/c1-7-10-13-14(11-17-12(4)5)20-15(18-13)16(6,8-2)19-9-3/h12,17H,7-11H2,1-6H3
InChIKeySBFKQALWISSMAZ-UHFFFAOYSA-N
MW298.50 g/mol
LogP4.26
Rot. Bonds9

About N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114364301) has the molecular formula C16H30N2OS and a molecular weight of 298.50 g/mol. Its IUPAC name is N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114364301
Molecular FormulaC16H30N2OS
Molecular Weight298.50 g/mol
Exact Mass298.21
IUPAC NameN-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCCc1nc(C(C)(CC)OCC)sc1CNC(C)C
InChIInChI=1S/C16H30N2OS/c1-7-10-13-14(11-17-12(4)5)20-15(18-13)16(6,8-2)19-9-3/h12,17H,7-11H2,1-6H3
InChIKeySBFKQALWISSMAZ-UHFFFAOYSA-N
XLogP4.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.50
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(2-methoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 114364619
N-[[2-(2-ethoxybutan-2-yl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 114366296
1-[2-(2-ethoxypropan-2-yl)-4-propyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114363464
2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazole-5-carboxylic acid
CID 114359602
N-[[4-(methoxymethyl)-2-(2-methoxypropan-2-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366475
1-[4-cyclopropyl-2-(2-ethoxybutan-2-yl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367080
N-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-4-propyl-1,3-thiazol-2-amine
CID 62764846
N-[(2-tert-butyl-4-propyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 82432329
N-[[4-ethyl-2-(2-methoxybutan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-2-amine
CID 116778107
N-[[2-(2-ethoxypropan-2-yl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114368898
N-[[2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365238
N-(cyclopropylmethyl)-5-[(propan-2-ylamino)methyl]-N,4-dipropyl-1,3-thiazol-2-amine
CID 62766838

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114364301) is N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is CCCc1nc(C(C)(CC)OCC)sc1CNC(C)C.
What is the InChIKey of N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is SBFKQALWISSMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2OS/c1-7-10-13-14(11-17-12(4)5)20-15(18-13)16(6,8-2)19-9-3/h12,17H,7-11H2,1-6H3.
What are the key properties of N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 298.50 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-ethoxybutan-2-yl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114364301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).