N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine

C12H23N3S — CID 115600536

IUPACN,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCC(C)NCc1sc(N(C)C)nc1C
InChIInChI=1S/C12H23N3S/c1-6-7-9(2)13-8-11-10(3)14-12(16-11)15(4)5/h9,13H,6-8H2,1-5H3
InChIKeyPNDPSTKONZBQRY-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.80
Rot. Bonds6

About N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine

N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115600536) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115600536
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC NameN,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCCC(C)NCc1sc(N(C)C)nc1C
InChIInChI=1S/C12H23N3S/c1-6-7-9(2)13-8-11-10(3)14-12(16-11)15(4)5/h9,13H,6-8H2,1-5H3
InChIKeyPNDPSTKONZBQRY-UHFFFAOYSA-N
XLogP2.80
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,4-dimethyl-N-pentan-2-yl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 62768335
5-(ethylaminomethyl)-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 46785712
4-methoxy-N,N-dimethyl-5-[(octan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 43746141
5-[(butan-2-ylamino)methyl]-4-ethyl-N,N-dimethyl-1,3-thiazol-2-amine
CID 82430873
1-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]-3-methylbutan-2-ol
CID 111421913
3-cyclopropyl-3-[[2-(dimethylamino)-4-methyl-1,3-thiazol-5-yl]methylamino]propan-1-ol
CID 111457483
N,N-dimethyl-N'-[4-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N'-propylethane-1,2-diamine
CID 62766864
N,4-dimethyl-N-(4-methylpentan-2-yl)-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 55117328
N-(2-ethoxyethyl)-N,4-dimethyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 81068229
5-[1-(ethylamino)ethyl]-N,N,4-trimethyl-1,3-thiazol-2-amine
CID 62749881
4-methyl-5-(methylaminomethyl)-N,N-dipropyl-1,3-thiazol-2-amine
CID 62765690
2-N-[[2-(dimethylamino)-4-methoxy-1,3-thiazol-5-yl]methyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 82945684

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 115600536) is N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine is CCCC(C)NCc1sc(N(C)C)nc1C.
What is the InChIKey of N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is PNDPSTKONZBQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-6-7-9(2)13-8-11-10(3)14-12(16-11)15(4)5/h9,13H,6-8H2,1-5H3.
What are the key properties of N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 241.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[(pentan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115600536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).