N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine

C16H23N3OS — CID 62753288

IUPACN-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(Cc2ccco2)C2CC2)nc1C
InChIInChI=1S/C16H23N3OS/c1-4-17-11(2)15-12(3)18-16(21-15)19(13-7-8-13)10-14-6-5-9-20-14/h5-6,9,11,13,17H,4,7-8,10H2,1-3H3
InChIKeyKSWNVQPJKWXJML-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.88
Rot. Bonds7

About N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine

N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine (PubChem CID 62753288) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
PubChem CID62753288
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC NameN-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine
SMILESCCNC(C)c1sc(N(Cc2ccco2)C2CC2)nc1C
InChIInChI=1S/C16H23N3OS/c1-4-17-11(2)15-12(3)18-16(21-15)19(13-7-8-13)10-14-6-5-9-20-14/h5-6,9,11,13,17H,4,7-8,10H2,1-3H3
InChIKeyKSWNVQPJKWXJML-UHFFFAOYSA-N
XLogP3.88
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine (CID 62753288) is N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine is CCNC(C)c1sc(N(Cc2ccco2)C2CC2)nc1C.
What is the InChIKey of N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
The InChIKey is KSWNVQPJKWXJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-4-17-11(2)15-12(3)18-16(21-15)19(13-7-8-13)10-14-6-5-9-20-14/h5-6,9,11,13,17H,4,7-8,10H2,1-3H3.
What are the key properties of N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine?
N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine has a molecular weight of 305.45 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-[1-(ethylamino)ethyl]-N-(furan-2-ylmethyl)-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 62753288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).