N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine

C16H29N3OS — CID 62752730

IUPACN-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CCOC)C(C)C2CC2)nc1C
InChIInChI=1S/C16H29N3OS/c1-6-17-11(2)15-12(3)18-16(21-15)19(9-10-20-5)13(4)14-7-8-14/h11,13-14,17H,6-10H2,1-5H3
InChIKeyIHUBOMWEHKBGMV-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.37
Rot. Bonds9

About N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine

N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62752730) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62752730
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC NameN-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(CCOC)C(C)C2CC2)nc1C
InChIInChI=1S/C16H29N3OS/c1-6-17-11(2)15-12(3)18-16(21-15)19(9-10-20-5)13(4)14-7-8-14/h11,13-14,17H,6-10H2,1-5H3
InChIKeyIHUBOMWEHKBGMV-UHFFFAOYSA-N
XLogP3.37
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine (CID 62752730) is N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine is CCNC(C)c1sc(N(CCOC)C(C)C2CC2)nc1C.
What is the InChIKey of N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is IHUBOMWEHKBGMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-6-17-11(2)15-12(3)18-16(21-15)19(9-10-20-5)13(4)14-7-8-14/h11,13-14,17H,6-10H2,1-5H3.
What are the key properties of N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine?
N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.37, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-5-[1-(ethylamino)ethyl]-N-(2-methoxyethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62752730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).