N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline

C17H23N3S — CID 79537841

IUPACN-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H23N3S/c1-13(12-16-4-2-3-9-18-16)20-15-7-5-14(6-8-15)17-19-10-11-21-17/h5-8,10-11,13,16,18,20H,2-4,9,12H2,1H3
InChIKeyFXOSGNNOEFRUCT-UHFFFAOYSA-N
MW301.46 g/mol
LogP4.14
Rot. Bonds5

About N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline

N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline (PubChem CID 79537841) has the molecular formula C17H23N3S and a molecular weight of 301.46 g/mol. Its IUPAC name is N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline.

Molecular Properties

Compound NameN-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
PubChem CID79537841
Molecular FormulaC17H23N3S
Molecular Weight301.46 g/mol
Exact Mass301.16
IUPAC NameN-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline
SMILESCC(CC1CCCCN1)Nc1ccc(-c2nccs2)cc1
InChIInChI=1S/C17H23N3S/c1-13(12-16-4-2-3-9-18-16)20-15-7-5-14(6-8-15)17-19-10-11-21-17/h5-8,10-11,13,16,18,20H,2-4,9,12H2,1H3
InChIKeyFXOSGNNOEFRUCT-UHFFFAOYSA-N
XLogP4.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.46
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(azepan-2-yl)propan-2-yl]-1,3-thiazol-2-amine
CID 79559653
4-ethyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549376
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
N-butan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 60927080
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
CID 79538614
N-hexan-2-yl-4-(1,3-thiazol-2-yl)aniline
CID 54862009
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,2,4-triazol-1-yl)aniline
CID 79538123
N-(1-pyrrolidin-2-ylpropan-2-yl)pyridin-3-amine
CID 79541111
N-(1-cyclopropylpropyl)-4-(1,3-thiazol-2-yl)aniline
CID 64918421

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
The IUPAC name of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline (CID 79537841) is N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline.
What is the SMILES notation for N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
The canonical SMILES for N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline is CC(CC1CCCCN1)Nc1ccc(-c2nccs2)cc1.
What is the InChIKey of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
The InChIKey is FXOSGNNOEFRUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3S/c1-13(12-16-4-2-3-9-18-16)20-15-7-5-14(6-8-15)17-19-10-11-21-17/h5-8,10-11,13,16,18,20H,2-4,9,12H2,1H3.
What are the key properties of N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline?
N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline has a molecular weight of 301.46 g/mol, XLogP of 4.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-2-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)aniline is sourced from PubChem (CID 79537841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).