N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride

C8H14ClN3S — CID 71641002

IUPACN-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(c1nccs1)[C@@H]1CCNC1.Cl
InChIInChI=1S/C8H13N3S.ClH/c1-11(7-2-3-9-6-7)8-10-4-5-12-8;/h4-5,7,9H,2-3,6H2,1H3;1H/t7-;/m1./s1
InChIKeyBZQJXGQMICGHHC-OGFXRTJISA-N
MW219.74 g/mol
LogP1.36
Rot. Bonds2

About N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride

N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride (PubChem CID 71641002) has the molecular formula C8H14ClN3S and a molecular weight of 219.74 g/mol. Its IUPAC name is N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride.

Molecular Properties

Compound NameN-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride
PubChem CID71641002
Molecular FormulaC8H14ClN3S
Molecular Weight219.74 g/mol
Exact Mass219.06
IUPAC NameN-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride
SMILESCN(c1nccs1)[C@@H]1CCNC1.Cl
InChIInChI=1S/C8H13N3S.ClH/c1-11(7-2-3-9-6-7)8-10-4-5-12-8;/h4-5,7,9H,2-3,6H2,1H3;1H/t7-;/m1./s1
InChIKeyBZQJXGQMICGHHC-OGFXRTJISA-N
XLogP1.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.74
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-piperidin-4-yl-1,3-thiazol-2-amine;hydrochloride
CID 71641479
N-methyl-N-[(3S)-piperidin-3-yl]-1,3-thiazol-2-amine
CID 71641107
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 63300017
N-piperidin-4-yl-N-propan-2-yl-1,3-thiazol-2-amine
CID 83839706
N,4-dimethyl-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71640984
N-methyl-N-thiophen-2-ylpyrrolidin-3-amine
CID 115118676
1-piperidin-4-yl-1-(1,3-thiazol-2-yl)urea
CID 174458914
N-propan-2-yl-N-(pyrrolidin-3-ylmethyl)-1,3-thiazol-2-amine
CID 83839704
N,4,5-trimethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 65168398
2-[methyl(pyrrolidin-3-yl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 63301676
2-[methyl-[(3R)-pyrrolidin-3-yl]amino]pyridine-4-carbonitrile
CID 71640983
N-methyl-N-pyrrolidin-3-yl-6-thiophen-2-ylpyridazin-3-amine
CID 116973478

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride?
The IUPAC name of N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride (CID 71641002) is N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride.
What is the SMILES notation for N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride?
The canonical SMILES for N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride is CN(c1nccs1)[C@@H]1CCNC1.Cl.
What is the InChIKey of N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride?
The InChIKey is BZQJXGQMICGHHC-OGFXRTJISA-N. The full InChI is InChI=1S/C8H13N3S.ClH/c1-11(7-2-3-9-6-7)8-10-4-5-12-8;/h4-5,7,9H,2-3,6H2,1H3;1H/t7-;/m1./s1.
What are the key properties of N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride?
N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride has a molecular weight of 219.74 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-pyrrolidin-3-yl]-1,3-thiazol-2-amine;hydrochloride is sourced from PubChem (CID 71641002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).