4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride

C13H24ClN3S — CID 120909092

IUPAC4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(C)Cc1ncc(CN2CC(C)C(N)C2)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-9(2)4-13-15-5-11(17-13)7-16-6-10(3)12(14)8-16;/h5,9-10,12H,4,6-8,14H2,1-3H3;1H
InChIKeyNIAXGJIHGNTFME-UHFFFAOYSA-N
MW289.88 g/mol
LogP2.54
Rot. Bonds4

About 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909092) has the molecular formula C13H24ClN3S and a molecular weight of 289.88 g/mol. Its IUPAC name is 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909092
Molecular FormulaC13H24ClN3S
Molecular Weight289.88 g/mol
Exact Mass289.14
IUPAC Name4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC(C)Cc1ncc(CN2CC(C)C(N)C2)s1.Cl
InChIInChI=1S/C13H23N3S.ClH/c1-9(2)4-13-15-5-11(17-13)7-16-6-10(3)12(14)8-16;/h5,9-10,12H,4,6-8,14H2,1-3H3;1H
InChIKeyNIAXGJIHGNTFME-UHFFFAOYSA-N
XLogP2.54
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.88
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-5-(piperazin-1-ylmethyl)-1,3-thiazole
CID 82191059
(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
6-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-3-carboxylic acid
CID 122124497
4-methyl-1-[(5-phenyl-1,3-thiazol-2-yl)methyl]pyrrolidin-3-amine
CID 120909531
1-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909434
1-[(4-chlorothiophen-2-yl)methyl]-4-methylpyrrolidin-3-amine;hydrochloride
CID 120909269
5-[[(3R,8aR)-3-ethyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]-2-(2-methylpropyl)-1,3-thiazole
CID 97262100
4-methyl-1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine
CID 103577352
[1-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-methylpiperidin-3-yl]methanamine
CID 114961053
N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
CID 165475821
(3S,4R)-1-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-phenylpyrrolidin-3-amine;hydrochloride
CID 120770237
(3S,4R)-4-phenyl-1-[(2-propan-2-yl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 120770481

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride (CID 120909092) is 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride is CC(C)Cc1ncc(CN2CC(C)C(N)C2)s1.Cl.
What is the InChIKey of 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is NIAXGJIHGNTFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S.ClH/c1-9(2)4-13-15-5-11(17-13)7-16-6-10(3)12(14)8-16;/h5,9-10,12H,4,6-8,14H2,1-3H3;1H.
What are the key properties of 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 289.88 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).