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

C16H21N3S — CID 114367551

IUPACN-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cnccc1-c1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C16H21N3S/c1-10(2)18-9-14-15(12-4-5-12)19-16(20-14)13-6-7-17-8-11(13)3/h6-8,10,12,18H,4-5,9H2,1-3H3
InChIKeyFVQZCHOPGPWZDZ-UHFFFAOYSA-N
MW287.43 g/mol
LogP3.89
Rot. Bonds5

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

N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114367551) has the molecular formula C16H21N3S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114367551
Molecular FormulaC16H21N3S
Molecular Weight287.43 g/mol
Exact Mass287.15
IUPAC NameN-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCc1cnccc1-c1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C16H21N3S/c1-10(2)18-9-14-15(12-4-5-12)19-16(20-14)13-6-7-17-8-11(13)3/h6-8,10,12,18H,4-5,9H2,1-3H3
InChIKeyFVQZCHOPGPWZDZ-UHFFFAOYSA-N
XLogP3.89
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367495
N-[[4-(2-methylpropyl)-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114369512
N-[[4-ethyl-2-(4-methyl-3-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114878725
N-[[4-cyclopropyl-2-(3,5-dibromo-2-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367537
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727
1-[2-(4-bromo-2-methylphenyl)-4-cyclopropyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 103083903
N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102952854
N-[[4-ethyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]-2-methylpropan-1-amine
CID 104842149
N'-[4-cyclopropyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-yl]-N,N,N'-trimethylethane-1,2-diamine
CID 63917430
N-[[2-[(4-bromophenyl)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367481
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521
N-[(4-cyclopropyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methyl]propan-2-amine
CID 63918492

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114367551) is N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is Cc1cnccc1-c1nc(C2CC2)c(CNC(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is FVQZCHOPGPWZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3S/c1-10(2)18-9-14-15(12-4-5-12)19-16(20-14)13-6-7-17-8-11(13)3/h6-8,10,12,18H,4-5,9H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 287.43 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114367551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).