N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H24N4S — CID 97159631

IUPACN,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc([C@H]2CCCN2Cc2sc(N(C)C)nc2C)n1
InChIInChI=1S/C17H24N4S/c1-12-7-5-8-14(18-12)15-9-6-10-21(15)11-16-13(2)19-17(22-16)20(3)4/h5,7-8,15H,6,9-11H2,1-4H3/t15-/m1/s1
InChIKeyTVXVCYFRLZXXEF-OAHLLOKOSA-N
MW316.47 g/mol
LogP3.56
Rot. Bonds4

About N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine

N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 97159631) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID97159631
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC NameN,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1cccc([C@H]2CCCN2Cc2sc(N(C)C)nc2C)n1
InChIInChI=1S/C17H24N4S/c1-12-7-5-8-14(18-12)15-9-6-10-21(15)11-16-13(2)19-17(22-16)20(3)4/h5,7-8,15H,6,9-11H2,1-4H3/t15-/m1/s1
InChIKeyTVXVCYFRLZXXEF-OAHLLOKOSA-N
XLogP3.56
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458
6-methyl-5-[[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]imidazo[2,1-b][1,3]thiazole
CID 97159618
5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-2-pyridin-3-yl-1,3-thiazole
CID 97159617
2-methyl-6-[(2S)-1-[(2-phenyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]pyridine
CID 124874423
2-[1-[(1-tert-butylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-6-methylpyridine
CID 75439356
methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
CID 124863514
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
N,N,2-trimethyl-6-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]pyridin-4-amine
CID 110256927
4,6-bis[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]pyrimidine
CID 133492915
2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-5-pyridin-2-yl-1,3,4-thiadiazole
CID 100687840
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
1-[(4-methoxyphenyl)methyl]-3-[4-[[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]phenyl]urea
CID 166706458

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 97159631) is N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1cccc([C@H]2CCCN2Cc2sc(N(C)C)nc2C)n1.
What is the InChIKey of N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is TVXVCYFRLZXXEF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4S/c1-12-7-5-8-14(18-12)15-9-6-10-21(15)11-16-13(2)19-17(22-16)20(3)4/h5,7-8,15H,6,9-11H2,1-4H3/t15-/m1/s1.
What are the key properties of N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine?
N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 316.47 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 97159631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).