N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

C16H29N3S — CID 103503686

IUPACN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCC(C(C)C)CC2)sc1CNC(C)C
InChIInChI=1S/C16H29N3S/c1-11(2)14-6-8-19(9-7-14)16-18-13(5)15(20-16)10-17-12(3)4/h11-12,14,17H,6-10H2,1-5H3
InChIKeyCJVFRHOWAKDPKC-UHFFFAOYSA-N
MW295.50 g/mol
LogP3.82
Rot. Bonds5

About N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine

N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 103503686) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID103503686
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1nc(N2CCC(C(C)C)CC2)sc1CNC(C)C
InChIInChI=1S/C16H29N3S/c1-11(2)14-6-8-19(9-7-14)16-18-13(5)15(20-16)10-17-12(3)4/h11-12,14,17H,6-10H2,1-5H3
InChIKeyCJVFRHOWAKDPKC-UHFFFAOYSA-N
XLogP3.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62780311
2-methoxy-N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]ethanamine
CID 103503705
N-[[4-methyl-2-(3,4,5-trimethylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114540531
N-[[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]butan-2-amine
CID 82427941
N-[[4-cyclopropyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 63917905
N-[[2-(2,2-dimethylmorpholin-4-yl)-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62767480
N-methyl-1-[4-methyl-2-(4-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62764135
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492
N-[(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]ethanamine
CID 46785724
N-[[4-methyl-2-(4-propan-2-ylpiperazin-1-yl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 62767636
N,N-dimethyl-1-[1-[4-methyl-5-(methylaminomethyl)-1,3-thiazol-2-yl]piperidin-4-yl]methanamine
CID 62767701
N-[[2-[cyclopropyl(methoxy)methyl]-4-methyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 116730560

Frequently Asked Questions

What is the IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 103503686) is N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1nc(N2CCC(C(C)C)CC2)sc1CNC(C)C.
What is the InChIKey of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is CJVFRHOWAKDPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-11(2)14-6-8-19(9-7-14)16-18-13(5)15(20-16)10-17-12(3)4/h11-12,14,17H,6-10H2,1-5H3.
What are the key properties of N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 295.50 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methyl-2-(4-propan-2-ylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 103503686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).