N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine

C17H29N3O2S — CID 97351995

IUPACN,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CN1CCC(OC[C@@H]2CCOC2)CC1
InChIInChI=1S/C17H29N3O2S/c1-13-16(23-17(18-13)19(2)3)10-20-7-4-15(5-8-20)22-12-14-6-9-21-11-14/h14-15H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyNEZQWRXZVIKXDC-CQSZACIVSA-N
MW339.51 g/mol
LogP2.54
Rot. Bonds6

About N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine

N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 97351995) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
PubChem CID97351995
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC NameN,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1nc(N(C)C)sc1CN1CCC(OC[C@@H]2CCOC2)CC1
InChIInChI=1S/C17H29N3O2S/c1-13-16(23-17(18-13)19(2)3)10-20-7-4-15(5-8-20)22-12-14-6-9-21-11-14/h14-15H,4-12H2,1-3H3/t14-/m1/s1
InChIKeyNEZQWRXZVIKXDC-CQSZACIVSA-N
XLogP2.54
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

5-[[4-(oxolan-3-ylmethoxy)piperidin-1-yl]methyl]furan-2-carbonitrile
CID 75521051
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-5-propyl-1,3,4-thiadiazole
CID 133453144
1-[(2-chloro-5-fluorophenyl)methyl]-4-[[(3S)-oxolan-3-yl]methoxy]piperidine
CID 100642461
2-ethoxy-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453179
methyl 4-chloro-2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 133453113
3-(4-methylphenyl)-5-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-1,2,4-oxadiazole
CID 133453174
4-chloro-5-ethyl-2-methyl-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrimidine
CID 133453102
1-(1,3-dimethyl-4-nitropyrazol-5-yl)-4-(oxolan-3-ylmethoxy)piperidine
CID 133453053
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
5-(aminomethyl)-N,4-dimethyl-N-(oxan-4-ylmethyl)-1,3-thiazol-2-amine
CID 63705683
2-(2-methylimidazol-1-yl)-6-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]pyrazine
CID 133453081
2-[4-(oxolan-3-ylmethoxy)piperidin-1-yl]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133453070

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine (CID 97351995) is N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine is Cc1nc(N(C)C)sc1CN1CCC(OC[C@@H]2CCOC2)CC1.
What is the InChIKey of N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is NEZQWRXZVIKXDC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-13-16(23-17(18-13)19(2)3)10-20-7-4-15(5-8-20)22-12-14-6-9-21-11-14/h14-15H,4-12H2,1-3H3/t14-/m1/s1.
What are the key properties of N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine?
N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 339.51 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-5-[[4-[[(3R)-oxolan-3-yl]methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 97351995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).