N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

C13H25N3S — CID 64542717

IUPACN-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)C(C)CC)n1
InChIInChI=1S/C13H25N3S/c1-6-8-14-11(4)12-9-17-13(15-12)16(5)10(3)7-2/h9-11,14H,6-8H2,1-5H3
InChIKeyNKJGOCLCCQKMMO-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.44
Rot. Bonds7

About N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine

N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (PubChem CID 64542717) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
PubChem CID64542717
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
SMILESCCCNC(C)c1csc(N(C)C(C)CC)n1
InChIInChI=1S/C13H25N3S/c1-6-8-14-11(4)12-9-17-13(15-12)16(5)10(3)7-2/h9-11,14H,6-8H2,1-5H3
InChIKeyNKJGOCLCCQKMMO-UHFFFAOYSA-N
XLogP3.44
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(3-methylbutyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545180
4-[1-(ethylamino)ethyl]-N-methyl-N-propan-2-yl-1,3-thiazol-2-amine
CID 64545140
N-cycloheptyl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64543943
4-[1-(ethylamino)ethyl]-N-methyl-N-(3-methylbutan-2-yl)-1,3-thiazol-2-amine
CID 64542925
4-[1-(ethylamino)ethyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 64542711
N,N-bis(cyclopropylmethyl)-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64542769
N'-ethyl-N,N-dimethyl-N'-[4-[1-(propylamino)ethyl]-1,3-thiazol-2-yl]propane-1,3-diamine
CID 102997970
N-(2-fluorophenyl)-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545171
N-[1-(2-ethyl-1,3-thiazol-4-yl)ethyl]propan-1-amine
CID 64544094
N-(2-ethoxyethyl)-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64545196
N-cyclohexyl-N-ethyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 64544326
N-[1-(4-chlorophenyl)ethyl]-4-[1-(ethylamino)ethyl]-N-methyl-1,3-thiazol-2-amine
CID 64542556

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The IUPAC name of N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine (CID 64542717) is N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is CCCNC(C)c1csc(N(C)C(C)CC)n1.
What is the InChIKey of N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
The InChIKey is NKJGOCLCCQKMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-8-14-11(4)12-9-17-13(15-12)16(5)10(3)7-2/h9-11,14H,6-8H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine?
N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-4-[1-(propylamino)ethyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 64542717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).