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

C11H21N3S — CID 115726282

IUPACN,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCC(CC)NCc1csc(N(C)C)n1
InChIInChI=1S/C11H21N3S/c1-5-9(6-2)12-7-10-8-15-11(13-10)14(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyXNTSZDINHHHILL-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.49
Rot. Bonds6

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

N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 115726282) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID115726282
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCCC(CC)NCc1csc(N(C)C)n1
InChIInChI=1S/C11H21N3S/c1-5-9(6-2)12-7-10-8-15-11(13-10)14(3)4/h8-9,12H,5-7H2,1-4H3
InChIKeyXNTSZDINHHHILL-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-ethyl-1,3-thiazol-4-yl)methyl]pentan-3-amine
CID 60727178
N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine
CID 115726281
4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115726275
[2-(dimethylamino)-1,3-thiazol-4-yl]methylcarbamic acid
CID 139374899
(2R)-2-[(2-propan-2-yl-1,3-thiazol-4-yl)methylamino]butan-1-ol
CID 103924364
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]hexan-3-amine;hydrochloride
CID 115615153
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-(3-ethyl-2-hydroxypentyl)urea
CID 111603963
4-[(hexan-3-ylamino)methyl]-1,3-thiazole-2-carboxylic acid
CID 103248470
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]heptan-3-amine
CID 61281288
N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine
CID 166283647
N-[[2-[(4-methoxyphenoxy)methyl]-1,3-thiazol-4-yl]methyl]pentan-3-amine
CID 119113948
N,N-dimethyl-4-[(1H-pyrazol-5-ylmethylamino)methyl]-1,3-thiazol-2-amine
CID 115671380

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine (CID 115726282) is N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine is CCC(CC)NCc1csc(N(C)C)n1.
What is the InChIKey of N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is XNTSZDINHHHILL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-9(6-2)12-7-10-8-15-11(13-10)14(3)4/h8-9,12H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115726282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).