[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine

C10H17N3S — CID 130562552

IUPAC[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CN(c2nccs2)CC1(C)CN
InChIInChI=1S/C10H17N3S/c1-8-5-13(7-10(8,2)6-11)9-12-3-4-14-9/h3-4,8H,5-7,11H2,1-2H3
InChIKeyYSZZLMWZHOVFEE-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.56
Rot. Bonds2

About [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine

[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine (PubChem CID 130562552) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
PubChem CID130562552
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine
SMILESCC1CN(c2nccs2)CC1(C)CN
InChIInChI=1S/C10H17N3S/c1-8-5-13(7-10(8,2)6-11)9-12-3-4-14-9/h3-4,8H,5-7,11H2,1-2H3
InChIKeyYSZZLMWZHOVFEE-UHFFFAOYSA-N
XLogP1.56
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-dimethyl-1-thiophen-2-ylpyrrolidin-3-yl)methanamine
CID 130562606
[6-methyl-4-(1,3-thiazol-2-yl)morpholin-2-yl]methanamine
CID 102938684
1-(1,3-thiazol-2-yl)azetidin-3-amine;dihydrochloride
CID 91623902
[1-methyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrrolidin-3-yl]methanamine
CID 62975822
ethane;2-pyrrolidin-1-yl-1,3-thiazole
CID 176952882
ethane;N'-[1-(1,3-thiazol-2-yl)piperidin-4-yl]ethane-1,2-diamine
CID 91531347
[1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]cycloheptyl]methanamine
CID 24698429
(2S)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906591
(2R)-1-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]propan-2-ol
CID 103906927
1-(1,3-thiazol-2-yl)-4-[(1,3-thiazol-2-ylamino)methyl]piperidin-4-ol
CID 138023128
2-methyl-4-(1,3-thiazol-2-yl)-1,4-oxazepane
CID 131132191
N,N-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-amine
CID 130709244

Frequently Asked Questions

What is the IUPAC name of [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The IUPAC name of [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine (CID 130562552) is [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine.
What is the SMILES notation for [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The canonical SMILES for [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine is CC1CN(c2nccs2)CC1(C)CN.
What is the InChIKey of [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
The InChIKey is YSZZLMWZHOVFEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-5-13(7-10(8,2)6-11)9-12-3-4-14-9/h3-4,8H,5-7,11H2,1-2H3.
What are the key properties of [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine?
[3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dimethyl-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]methanamine is sourced from PubChem (CID 130562552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).