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

C17H23N3S — CID 114367495

IUPACN-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1cnccc1-c1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C17H23N3S/c1-4-12-9-18-8-7-14(12)17-20-16(13-5-6-13)15(21-17)10-19-11(2)3/h7-9,11,13,19H,4-6,10H2,1-3H3
InChIKeyIQOPAHCSYUNFNN-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.14
Rot. Bonds6

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

N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (PubChem CID 114367495) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
PubChem CID114367495
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
SMILESCCc1cnccc1-c1nc(C2CC2)c(CNC(C)C)s1
InChIInChI=1S/C17H23N3S/c1-4-12-9-18-8-7-14(12)17-20-16(13-5-6-13)15(21-17)10-19-11(2)3/h7-9,11,13,19H,4-6,10H2,1-3H3
InChIKeyIQOPAHCSYUNFNN-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

N-[[4-cyclopropyl-2-(3-methyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114367551
N-[[4-ethyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 104841727
N-[[2-(3-ethyl-4-pyridinyl)-4-(methoxymethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114366521
N-[[2-(3-ethyl-4-pyridinyl)-4-propyl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114364454
N-[[2-(3-ethyl-4-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]propan-1-amine
CID 114365234
[2-(3-ethyl-4-pyridinyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362110
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-cyclopropyl-2-(ethylsulfonylmethyl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 82436832
N-[[4-cyclopropyl-2-(6-methoxypyrimidin-4-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 102952854
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

Frequently Asked Questions

What is the IUPAC name of N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The IUPAC name of N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine (CID 114367495) is N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is CCc1cnccc1-c1nc(C2CC2)c(CNC(C)C)s1.
What is the InChIKey of N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
The InChIKey is IQOPAHCSYUNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-4-12-9-18-8-7-14(12)17-20-16(13-5-6-13)15(21-17)10-19-11(2)3/h7-9,11,13,19H,4-6,10H2,1-3H3.
What are the key properties of N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine?
N-[[4-cyclopropyl-2-(3-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine has a molecular weight of 301.46 g/mol, XLogP of 4.14, 6 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-ethyl-4-pyridinyl)-1,3-thiazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 114367495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).