N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

C16H29N3S — CID 62511650

IUPACN-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C)c(C(C)N2CCC(CNC(C)(C)C)C2)s1
InChIInChI=1S/C16H29N3S/c1-11-15(20-13(3)18-11)12(2)19-8-7-14(10-19)9-17-16(4,5)6/h12,14,17H,7-10H2,1-6H3
InChIKeyRDSQUISNLQRDJW-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.53
Rot. Bonds4

About N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine

N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (PubChem CID 62511650) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
PubChem CID62511650
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine
SMILESCc1nc(C)c(C(C)N2CCC(CNC(C)(C)C)C2)s1
InChIInChI=1S/C16H29N3S/c1-11-15(20-13(3)18-11)12(2)19-8-7-14(10-19)9-17-16(4,5)6/h12,14,17H,7-10H2,1-6H3
InChIKeyRDSQUISNLQRDJW-UHFFFAOYSA-N
XLogP3.53
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylpiperidin-3-yl]methanamine
CID 114959869
5-[1-(3,5-dimethylpiperazin-1-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 63863300
2-[3-[(tert-butylamino)methyl]pyrrolidin-1-yl]-N,N,3-trimethylbutan-1-amine
CID 62512117
5-[1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethyl]-2,4-dimethyl-1,3-thiazole
CID 66213330
2-methyl-N-[[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 63292083
1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]azetidine-3-carboxylic acid
CID 65072203
2-methyl-N-[(1-pentan-2-ylpiperidin-3-yl)methyl]propan-2-amine
CID 107887847
2-methyl-N-[[1-(2-methylpropyl)pyrrolidin-3-yl]methyl]propan-2-amine
CID 62513718
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1,3-dimethylpiperidin-4-amine
CID 115711165
methyl 4-methyl-2-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]-1,3-thiazole-5-carboxylate
CID 80570367
2-[4-[(tert-butylamino)methyl]piperidin-1-yl]propanenitrile
CID 63848785
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-propylcyclohexan-1-amine
CID 61059456

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine (CID 62511650) is N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is Cc1nc(C)c(C(C)N2CCC(CNC(C)(C)C)C2)s1.
What is the InChIKey of N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
The InChIKey is RDSQUISNLQRDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-11-15(20-13(3)18-11)12(2)19-8-7-14(10-19)9-17-16(4,5)6/h12,14,17H,7-10H2,1-6H3.
What are the key properties of N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine?
N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]pyrrolidin-3-yl]methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62511650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).