N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

C14H26N4S — CID 79318218

IUPACN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1csc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H26N4S/c1-11(2)15-8-12-10-19-14(16-12)18(4)9-13-6-5-7-17(13)3/h10-11,13,15H,5-9H2,1-4H3
InChIKeyNOUSYCNFOCODTF-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.17
Rot. Bonds6

About N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine

N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (PubChem CID 79318218) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
PubChem CID79318218
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
SMILESCC(C)NCc1csc(N(C)CC2CCCN2C)n1
InChIInChI=1S/C14H26N4S/c1-11(2)15-8-12-10-19-14(16-12)18(4)9-13-6-5-7-17(13)3/h10-11,13,15H,5-9H2,1-4H3
InChIKeyNOUSYCNFOCODTF-UHFFFAOYSA-N
XLogP2.17
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 79311640
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-3-[(2S)-1-methylpiperidin-2-yl]propanamide
CID 97192165
N-methyl-6-[(2-methylpropylamino)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]pyridazin-3-amine
CID 79310788
N-[[4-[[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]methyl]-1,3-thiazol-2-yl]methyl]cyclopropanamine
CID 79313224
N-[(4-ethyl-1,3-thiazol-2-yl)methyl]-6-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]pyridine-3-carboxamide
CID 45244073
4-[(1-cyclopropylpropan-2-ylamino)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 115726275
methyl 2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-5-carboxylate
CID 80572769
1-[2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazol-5-yl]ethanone
CID 79313458
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-6-[(propan-2-ylamino)methyl]pyrazin-2-amine
CID 79311006
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 111619164
5-acetyl-2-[methyl-[(1-methylpyrrolidin-2-yl)methyl]amino]-1,3-thiazole-4-carboxylic acid
CID 106697867
N'-methyl-N'-[(1-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylethane-1,2-diamine
CID 79314288

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The IUPAC name of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine (CID 79318218) is N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is CC(C)NCc1csc(N(C)CC2CCCN2C)n1.
What is the InChIKey of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
The InChIKey is NOUSYCNFOCODTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-11(2)15-8-12-10-19-14(16-12)18(4)9-13-6-5-7-17(13)3/h10-11,13,15H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine?
N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine has a molecular weight of 282.46 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-4-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 79318218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).