N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine

C12H21N3S — CID 115726281

IUPACN,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N(C)C)n1)C1(C)CC1
InChIInChI=1S/C12H21N3S/c1-9(12(2)5-6-12)13-7-10-8-16-11(14-10)15(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyVYMZHPAUCYRQHT-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.49
Rot. Bonds5

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

N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine (PubChem CID 115726281) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine
PubChem CID115726281
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine
SMILESCC(NCc1csc(N(C)C)n1)C1(C)CC1
InChIInChI=1S/C12H21N3S/c1-9(12(2)5-6-12)13-7-10-8-16-11(14-10)15(3)4/h8-9,13H,5-7H2,1-4H3
InChIKeyVYMZHPAUCYRQHT-UHFFFAOYSA-N
XLogP2.49
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-dimethyl-4-[(pentan-3-ylamino)methyl]-1,3-thiazol-2-amine
CID 115726282
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
N,N-dimethyl-4-[[1-[4-(trifluoromethyl)thiophen-2-yl]ethylamino]methyl]-1,3-thiazol-2-amine
CID 166283647
1-(1-methylcyclopropyl)-N-[(5-methylpyrazin-2-yl)methyl]ethanamine
CID 62846796
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111964323
1-(1-methylcyclopropyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43363176
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(3R)-3-hydroxy-2,2,4-trimethylpentyl]urea
CID 97242047
N,N-dimethyl-4-[(oxan-4-ylamino)methyl]-1,3-thiazol-2-amine
CID 115671381
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2R,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079359
N,N-dimethyl-4-[[1-[4-(tetrazol-1-yl)phenyl]ethylamino]methyl]-1,3-thiazol-2-amine
CID 75428486
1-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[[(2S,3S)-2-propan-2-yloxolan-3-yl]methyl]urea
CID 97079360

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine (CID 115726281) is N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine is CC(NCc1csc(N(C)C)n1)C1(C)CC1.
What is the InChIKey of N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine?
The InChIKey is VYMZHPAUCYRQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(12(2)5-6-12)13-7-10-8-16-11(14-10)15(3)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine?
N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[1-(1-methylcyclopropyl)ethylamino]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 115726281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).